CID 3046444

Tris-oktylfenylfosfit [czech]

Structural Information

Molecular Formula
C42H63O3P
SMILES
CC(C)(C)CC(C)(C)C1=CC=CC=C1OP(OC2=CC=CC=C2C(C)(C)CC(C)(C)C)OC3=CC=CC=C3C(C)(C)CC(C)(C)C
InChI
InChI=1S/C42H63O3P/c1-37(2,3)28-40(10,11)31-22-16-19-25-34(31)43-46(44-35-26-20-17-23-32(35)41(12,13)29-38(4,5)6)45-36-27-21-18-24-33(36)42(14,15)30-39(7,8)9/h16-27H,28-30H2,1-15H3
InChIKey
MEFOHEIWDBDKLR-UHFFFAOYSA-N
Compound name
tris[2-(2,4,4-trimethylpentan-2-yl)phenyl] phosphite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

182
Patents

646.4515 Da
Monoisotopic Mass

15.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 647.45878 266.9
[M+Na]+ 669.44072 265.7
[M-H]- 645.44422 273.0
[M+NH4]+ 664.48532 268.4
[M+K]+ 685.41466 263.6
[M+H-H2O]+ 629.44876 254.3
[M+HCOO]- 691.44970 277.5
[M+CH3COO]- 705.46535 276.6
[M+Na-2H]- 667.42617 265.6
[M]+ 646.45095 274.5
[M]- 646.45205 274.5
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