CID 77866

Tridecyl phosphate

Structural Information

Molecular Formula
C30H63O4P
SMILES
CCCCCCCCCCOP(=O)(OCCCCCCCCCC)OCCCCCCCCCC
InChI
InChI=1S/C30H63O4P/c1-4-7-10-13-16-19-22-25-28-32-35(31,33-29-26-23-20-17-14-11-8-5-2)34-30-27-24-21-18-15-12-9-6-3/h4-30H2,1-3H3
InChIKey
KUHPLTBUBAGTDV-UHFFFAOYSA-N
Compound name
tris-decyl phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3228
Patents

518.4464 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.45368 239.5
[M+Na]+ 541.43562 243.0
[M-H]- 517.43912 223.1
[M+NH4]+ 536.48022 239.7
[M+K]+ 557.40956 242.0
[M+H-H2O]+ 501.44366 230.9
[M+HCOO]- 563.44460 252.5
[M+CH3COO]- 577.46025 252.6
[M+Na-2H]- 539.42107 222.0
[M]+ 518.44585 239.0
[M]- 518.44695 239.0
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