CID 22630279

Triisotridecyl phosphite

Structural Information

Molecular Formula
C39H81O3P
SMILES
CC(C)CCCCCCCCCCOP(OCCCCCCCCCCC(C)C)OCCCCCCCCCCC(C)C
InChI
InChI=1S/C39H81O3P/c1-37(2)31-25-19-13-7-10-16-22-28-34-40-43(41-35-29-23-17-11-8-14-20-26-32-38(3)4)42-36-30-24-18-12-9-15-21-27-33-39(5)6/h37-39H,7-36H2,1-6H3
InChIKey
IVINYWARLXOTLP-UHFFFAOYSA-N
Compound name
tris(11-methyldodecyl) phosphite
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

216
Patents

628.59235 Da
Monoisotopic Mass

17.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 629.599626 272.2
[M+Na]+ 651.581568 276.3
[M-H]- 627.585074 254.7
[M+NH4]+ 646.626173 276.0
[M+K]+ 667.555508 280.1
[M+H-H2O]+ 611.589610 266.3
[M+HCOO]- 673.590551 270.5
[M+CH3COO]- 687.606201 278.6
[M+Na-2H]- 649.567016 252.8
[M]+ 628.59180142 270.4
[M]- 628.59289858 270.4
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

patents stripe