CID 24813

Phosphorus oxychloride

Structural Information

Molecular Formula

SMILES

O=P(Cl)(Cl)Cl

InChI

InChI=1S/Cl3OP/c1-5(2,3)4

InChIKey

XHXFXVLFKHQFAL-UHFFFAOYSA-N

Compound name

phosphoryl trichloride

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 69
References: 34792
Patents: 151.87523 Da
Monoisotopic Mass: 1.7
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]+	152.882506	118.3
[M+Na]+	174.864448	129.6
[M-H]-	150.867954	117.3
[M+NH4]+	169.909053	141.4
[M+K]+	190.838388	125.7
[M+H-H2O]+	134.872490	115.8
[M+HCOO]-	196.873431	132.9
[M+CH3COO]-	210.889081	172.5
[M+Na-2H]-	172.849896	123.8
[M]+	151.87468142	121.6
[M]-	151.87577858	121.6

Literature stripe

literature stripe

Patent stripe

patents stripe