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: 6633
Patents: 350.2586 Da
Monoisotopic Mass: 6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe