CID 206260

(p-chlorophenylcarbamoyl)phenylphosphinic acid

Structural Information

Molecular Formula
C13H11ClNO3P
SMILES
C1=CC=C(C=C1)P(=O)(C(=O)NC2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C13H11ClNO3P/c14-10-6-8-11(9-7-10)15-13(16)19(17,18)12-4-2-1-3-5-12/h1-9H,(H,15,16)(H,17,18)
InChIKey
YOBRVUAKVOKXSG-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)carbamoyl-phenylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.0165 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.02378 162.7
[M+Na]+ 318.00572 170.1
[M-H]- 294.00922 167.2
[M+NH4]+ 313.05032 178.1
[M+K]+ 333.97966 165.2
[M+H-H2O]+ 278.01376 154.2
[M+HCOO]- 340.01470 185.9
[M+CH3COO]- 354.03035 198.3
[M+Na-2H]- 315.99117 165.8
[M]+ 295.01595 164.3
[M]- 295.01705 164.3
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.