CID 512090

74270-33-0

Structural Information

Molecular Formula

C₇H₆ClO₅P

SMILES

C1=CC(=CC=C1OC(=O)P(=O)(O)O)Cl

InChI

InChI=1S/C7H6ClO5P/c8-5-1-3-6(4-2-5)13-7(9)14(10,11)12/h1-4H,(H2,10,11,12)

InChIKey

XPVUKGSFIHHHIT-UHFFFAOYSA-N

Compound name

(4-chlorophenoxy)carbonylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 235.96414 Da
Monoisotopic Mass: 0.8
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]+	236.97142	142.1
[M+Na]+	258.95336	151.2
[M-H]-	234.95686	142.8
[M+NH4]+	253.99796	160.0
[M+K]+	274.92730	148.4
[M+H-H2O]+	218.96140	136.1
[M+HCOO]-	280.96234	164.0
[M+CH3COO]-	294.97799	181.2
[M+Na-2H]-	256.93881	145.7
[M]+	235.96359	146.0
[M]-	235.96469	146.0

Literature stripe

literature stripe

Patent stripe

patents stripe