CID 76514

Trihexylphosphine oxide

Structural Information

Molecular Formula

C₁₈H₃₉OP

SMILES

CCCCCCP(=O)(CCCCCC)CCCCCC

InChI

InChI=1S/C18H39OP/c1-4-7-10-13-16-20(19,17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3

InChIKey

PPDZLUVUQQGIOJ-UHFFFAOYSA-N

Compound name

1-dihexylphosphorylhexane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1721
Patents: 302.27386 Da
Monoisotopic Mass: 6.4
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]+	303.28114	189.8
[M+Na]+	325.26308	192.4
[M-H]-	301.26658	186.9
[M+NH4]+	320.30768	206.0
[M+K]+	341.23702	189.0
[M+H-H2O]+	285.27112	181.3
[M+HCOO]-	347.27206	213.6
[M+CH3COO]-	361.28771	212.1
[M+Na-2H]-	323.24853	187.2
[M]+	302.27331	197.7
[M]-	302.27441	197.7

Literature stripe

literature stripe

Patent stripe

patents stripe