CID 72903

Dtxsid0027436

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)P(O)O

InChI

InChI=1S/C6H7O2P/c7-9(8)6-4-2-1-3-5-6/h1-5,7-8H

InChIKey

CGNKSELPNJJTSM-UHFFFAOYSA-N

Compound name

phenylphosphonous acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 8
References: 1841
Patents: 142.01837 Da
Monoisotopic Mass: 0.5
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]+	143.025646	129.5
[M+Na]+	165.007588	136.5
[M-H]-	141.011094	129.4
[M+NH4]+	160.052193	150.0
[M+K]+	180.981528	134.8
[M+H-H2O]+	125.015630	122.3
[M+HCOO]-	187.016571	156.5
[M+CH3COO]-	201.032221	168.8
[M+Na-2H]-	162.993036	132.8
[M]+	142.01782142	128.2
[M]-	142.01891858	128.2

Literature stripe

literature stripe

Patent stripe

patents stripe