CID 77711

Tris(tridecan-1-yl) phosphite

Structural Information

Molecular Formula
C39H81O3P
SMILES
CCCCCCCCCCCCCOP(OCCCCCCCCCCCCC)OCCCCCCCCCCCCC
InChI
InChI=1S/C39H81O3P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43(41-38-35-32-29-26-23-20-17-14-11-8-5-2)42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-39H2,1-3H3
InChIKey
PEXOFOFLXOCMDX-UHFFFAOYSA-N
Compound name
tritridecyl phosphite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5568
Patents

628.59235 Da
Monoisotopic Mass

18.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 629.59963 274.8
[M+Na]+ 651.58157 277.2
[M-H]- 627.58507 252.4
[M+NH4]+ 646.62617 273.6
[M+K]+ 667.55551 279.5
[M+H-H2O]+ 611.58961 267.0
[M+HCOO]- 673.59055 280.1
[M+CH3COO]- 687.60620 276.8
[M+Na-2H]- 649.56702 253.2
[M]+ 628.59180 272.4
[M]- 628.59290 272.4
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