CID 80190

Trihexyl phosphite

Structural Information

Molecular Formula

C₁₈H₃₉O₃P

SMILES

CCCCCCOP(OCCCCCC)OCCCCCC

InChI

InChI=1S/C18H39O3P/c1-4-7-10-13-16-19-22(20-17-14-11-8-5-2)21-18-15-12-9-6-3/h4-18H2,1-3H3

InChIKey

DSKYTPNZLCVELA-UHFFFAOYSA-N

Compound name

trihexyl phosphite

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1122
Patents: 334.26367 Da
Monoisotopic Mass: 7.1
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]+	335.27095	196.3
[M+Na]+	357.25289	197.9
[M-H]-	333.25639	193.0
[M+NH4]+	352.29749	210.9
[M+K]+	373.22683	196.1
[M+H-H2O]+	317.26093	186.7
[M+HCOO]-	379.26187	220.9
[M+CH3COO]-	393.27752	216.9
[M+Na-2H]-	355.23834	191.8
[M]+	334.26312	207.6
[M]-	334.26422	207.6

Literature stripe

literature stripe

Patent stripe

patents stripe