CID 345468

Methylphenylphosphinic acid

Structural Information

Molecular Formula
C7H9O2P
SMILES
CP(=O)(C1=CC=CC=C1)O
InChI
InChI=1S/C7H9O2P/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3,(H,8,9)
InChIKey
RMJCJLHZCBFPDN-UHFFFAOYSA-N
Compound name
methyl(phenyl)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1932
Patents

156.03401 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04129 132.4
[M+Na]+ 179.02323 140.4
[M-H]- 155.02673 133.9
[M+NH4]+ 174.06783 153.3
[M+K]+ 194.99717 138.8
[M+H-H2O]+ 139.03127 125.5
[M+HCOO]- 201.03221 160.3
[M+CH3COO]- 215.04786 173.0
[M+Na-2H]- 177.00868 137.9
[M]+ 156.03346 132.9
[M]- 156.03456 132.9
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