CID 6327897

Phenyl hydrogen phosphonate

Structural Information

Molecular Formula
C6H6O3P
SMILES
C1=CC=C(C=C1)O[P+](=O)O
InChI
InChI=1S/C6H5O3P/c7-10(8)9-6-4-2-1-3-5-6/h1-5H/p+1
InChIKey
IDVRZFQYOSGBAF-UHFFFAOYSA-O
Compound name
hydroxy-oxo-phenoxyphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2010
Patents

157.00546 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.01274 130.4
[M+Na]+ 179.99468 138.0
[M-H]- 155.99818 132.2
[M+NH4]+ 175.03928 150.7
[M+K]+ 195.96862 131.8
[M+H-H2O]+ 140.00272 125.7
[M+HCOO]- 202.00366 159.2
[M+CH3COO]- 216.01931 165.6
[M+Na-2H]- 177.98013 137.0
[M]+ 157.00491 130.5
[M]- 157.00601 130.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe