CID 117488

Triisodecyl phosphite

Structural Information

Molecular Formula
C30H63O3P
SMILES
CC(C)CCCCCCCOP(OCCCCCCCC(C)C)OCCCCCCCC(C)C
InChI
InChI=1S/C30H63O3P/c1-28(2)22-16-10-7-13-19-25-31-34(32-26-20-14-8-11-17-23-29(3)4)33-27-21-15-9-12-18-24-30(5)6/h28-30H,7-27H2,1-6H3
InChIKey
QEDNBHNWMHJNAB-UHFFFAOYSA-N
Compound name
tris(8-methylnonyl) phosphite
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

8581
Patents

502.45148 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.45876 240.9
[M+Na]+ 525.44070 246.7
[M-H]- 501.44420 227.0
[M+NH4]+ 520.48530 245.0
[M+K]+ 541.41464 246.8
[M+H-H2O]+ 485.44874 236.2
[M+HCOO]- 547.44968 242.8
[M+CH3COO]- 561.46533 253.7
[M+Na-2H]- 523.42615 225.5
[M]+ 502.45093 239.5
[M]- 502.45203 239.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe