CID 75666

Trihexyl phosphate

Structural Information

Molecular Formula
C18H39O4P
SMILES
CCCCCCOP(=O)(OCCCCCC)OCCCCCC
InChI
InChI=1S/C18H39O4P/c1-4-7-10-13-16-20-23(19,21-17-14-11-8-5-2)22-18-15-12-9-6-3/h4-18H2,1-3H3
InChIKey
SFENPMLASUEABX-UHFFFAOYSA-N
Compound name
trihexyl phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

6501
Patents

350.2586 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.26588 197.5
[M+Na]+ 373.24782 199.9
[M-H]- 349.25132 194.4
[M+NH4]+ 368.29242 195.8
[M+K]+ 389.22176 198.0
[M+H-H2O]+ 333.25586 188.3
[M+HCOO]- 395.25680 212.8
[M+CH3COO]- 409.27245 217.7
[M+Na-2H]- 371.23327 195.5
[M]+ 350.25805 209.7
[M]- 350.25915 209.7
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

No patent data available for this compound.