CID 3057413

Phenyl(phenylcarbamoyl)phosphinic acid

Structural Information

Molecular Formula
C13H12NO3P
SMILES
C1=CC=C(C=C1)C(=O)NP(=O)(C2=CC=CC=C2)O
InChI
InChI=1S/C13H12NO3P/c15-13(11-7-3-1-4-8-11)14-18(16,17)12-9-5-2-6-10-12/h1-10H,(H2,14,15,16,17)
InChIKey
HKMBGVLZEVIARW-UHFFFAOYSA-N
Compound name
N-benzoyl-phenylphosphonamidic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.05548 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.06276 158.1
[M+Na]+ 284.04470 163.6
[M-H]- 260.04820 162.1
[M+NH4]+ 279.08930 173.5
[M+K]+ 300.01864 160.5
[M+H-H2O]+ 244.05274 148.5
[M+HCOO]- 306.05368 185.7
[M+CH3COO]- 320.06933 193.4
[M+Na-2H]- 282.03015 162.1
[M]+ 261.05493 156.9
[M]- 261.05603 156.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.