CID 91809007

Einecs 279-499-4

Structural Information

Molecular Formula
C102H134O31P8
SMILES
CC(COCC(C)OP(OC1=CC=CC=C1)OC(C)COCC(C)OP(OC2=CC=CC=C2)OC(C)COCC(C)OP(OC3=CC=CC=C3)OC(C)COCC(C)OP(OC4=CC=CC=C4)OC(C)COCC(C)OP(OC5=CC=CC=C5)OC(C)COCC(C)OP(OC6=CC=CC=C6)OC(C)COCC(C)OP(OC7=CC=CC=C7)OC8=CC=CC=C8)OP(OC9=CC=CC=C9)OC1=CC=CC=C1
InChI
InChI=1S/C102H134O31P8/c1-79(110-134(124-93-45-25-15-26-46-93)112-81(3)67-104-69-83(5)114-136(126-95-49-29-17-30-50-95)116-85(7)71-106-73-87(9)118-138(128-97-53-33-19-34-54-97)120-89(11)75-108-77-91(13)122-140(130-99-57-37-21-38-58-99)131-100-59-39-22-40-60-100)65-103-66-80(2)111-135(125-94-47-27-16-28-48-94)113-82(4)68-105-70-84(6)115-137(127-96-51-31-18-32-52-96)117-86(8)72-107-74-88(10)119-139(129-98-55-35-20-36-56-98)121-90(12)76-109-78-92(14)123-141(132-101-61-41-23-42-62-101)133-102-63-43-24-44-64-102/h15-64,79-92H,65-78H2,1-14H3
InChIKey
SLTPOEHKGGIZLE-UHFFFAOYSA-N
Compound name
1-(2-diphenoxyphosphanyloxypropoxy)propan-2-yl 1-[2-[1-[2-[1-[2-[1-[2-[1-[2-[1-(2-diphenoxyphosphanyloxypropoxy)propan-2-yloxy-phenoxyphosphanyl]oxypropoxy]propan-2-yloxy-phenoxyphosphanyl]oxypropoxy]propan-2-yloxy-phenoxyphosphanyl]oxypropoxy]propan-2-yloxy-phenoxyphosphanyl]oxypropoxy]propan-2-yloxy-phenoxyphosphanyl]oxypropoxy]propan-2-yl phenyl phosphite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

2102.681 Da
Monoisotopic Mass

22.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 2103.6883 377.0
[M+Na]+ 2125.6702 384.0
[M-H]- 2101.6737 394.2
[M+NH4]+ 2120.7148 382.5
[M+K]+ 2141.6442 367.7
[M+H-H2O]+ 2085.6783 357.3
[M+HCOO]- 2147.6792 381.1
[M+CH3COO]- 2161.6949 380.5
[M+Na-2H]- 2123.6557 403.2
[M]+ 2102.6805 398.3
[M]- 2102.6815 398.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe