CID 2773663

880-68-2

Structural Information

Molecular Formula

C₆H₈O₆P₂

SMILES

C1=CC(=CC=C1P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C6H8O6P2/c7-13(8,9)5-1-2-6(4-3-5)14(10,11)12/h1-4H,(H2,7,8,9)(H2,10,11,12)

InChIKey

JHDJUJAFXNIIIW-UHFFFAOYSA-N

Compound name

(4-phosphonophenyl)phosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 230
Patents: 237.97961 Da
Monoisotopic Mass: -2.0
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]+	238.98689	148.3
[M+Na]+	260.96883	155.8
[M+NH4]+	256.01343	151.9
[M+K]+	276.94277	155.5
[M-H]-	236.97233	144.1
[M+Na-2H]-	258.95428	150.0
[M]+	237.97906	147.5
[M]-	237.98016	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe