CID 86144

115035-49-9

Structural Information

Molecular Formula
C42H80O7P2
SMILES
CC(C)CCCCCCCOP(OCCCCCCCC(C)C)OC(C)COCC(C)OP(OCCCCCCCC(C)C)OC1=CC=CC=C1
InChI
InChI=1S/C42H80O7P2/c1-37(2)27-19-12-9-15-24-32-44-50(45-33-25-16-10-13-20-28-38(3)4)47-40(7)35-43-36-41(8)48-51(49-42-30-22-18-23-31-42)46-34-26-17-11-14-21-29-39(5)6/h18,22-23,30-31,37-41H,9-17,19-21,24-29,32-36H2,1-8H3
InChIKey
OFTCSTKUZLMDSI-UHFFFAOYSA-N
Compound name
1-[2-[bis(8-methylnonoxy)phosphanyloxy]propoxy]propan-2-yl 8-methylnonyl phenyl phosphite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

758.5379 Da
Monoisotopic Mass

15.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 759.54518 283.4
[M+Na]+ 781.52712 288.0
[M-H]- 757.53062 272.2
[M+NH4]+ 776.57172 295.5
[M+K]+ 797.50106 289.4
[M+H-H2O]+ 741.53516 274.6
[M+HCOO]- 803.53610 279.4
[M+CH3COO]- 817.55175 297.0
[M+Na-2H]- 779.51257 262.7
[M]+ 758.53735 282.4
[M]- 758.53845 282.4
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

No patent data available for this compound.