CID 76425

Tri(tridecyl) phosphate

Structural Information

Molecular Formula
C39H81O4P
SMILES
CCCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCCC)OCCCCCCCCCCCCC
InChI
InChI=1S/C39H81O4P/c1-4-7-10-13-16-19-22-25-28-31-34-37-41-44(40,42-38-35-32-29-26-23-20-17-14-11-8-5-2)43-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-39H2,1-3H3
InChIKey
XEQUZHYCHCGTJX-UHFFFAOYSA-N
Compound name
tritridecyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1171
Patents

644.5872 Da
Monoisotopic Mass

17.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 645.59448 270.9
[M+Na]+ 667.57642 272.6
[M-H]- 643.57992 250.9
[M+NH4]+ 662.62102 270.7
[M+K]+ 683.55036 275.4
[M+H-H2O]+ 627.58446 261.1
[M+HCOO]- 689.58540 280.4
[M+CH3COO]- 703.60105 277.8
[M+Na-2H]- 665.56187 249.4
[M]+ 644.58665 270.0
[M]- 644.58775 270.0
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