CID 168137

Chloroacetol phosphate

Structural Information

Molecular Formula

C₃H₆ClO₅P

SMILES

C(C(=O)CCl)OP(=O)(O)O

InChI

InChI=1S/C3H6ClO5P/c4-1-3(5)2-9-10(6,7)8/h1-2H2,(H2,6,7,8)

InChIKey

OAZBZQJUELMYST-UHFFFAOYSA-N

Compound name

(3-chloro-2-oxopropyl) dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 33
Patents: 187.96414 Da
Monoisotopic Mass: -1.2
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]+	188.97142	132.7
[M+Na]+	210.95336	140.8
[M+NH4]+	205.99796	137.7
[M+K]+	226.92730	138.9
[M-H]-	186.95686	127.9
[M+Na-2H]-	208.93881	133.6
[M]+	187.96359	132.2
[M]-	187.96469	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe