CID 3057412

Phenyl(2,5-dichlorophenylcarbamoyl)phosphinic acid

Structural Information

Molecular Formula
C13H10Cl2NO3P
SMILES
C1=CC=C(C=C1)P(=O)(NC(=O)C2=C(C=CC(=C2)Cl)Cl)O
InChI
InChI=1S/C13H10Cl2NO3P/c14-9-6-7-12(15)11(8-9)13(17)16-20(18,19)10-4-2-1-3-5-10/h1-8H,(H2,16,17,18,19)
InChIKey
OFIUQYQHXRVXNT-UHFFFAOYSA-N
Compound name
N-(2,5-dichlorobenzoyl)-phenylphosphonamidic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.97754 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.98482 166.6
[M+Na]+ 351.96676 175.5
[M-H]- 327.97026 171.1
[M+NH4]+ 347.01136 181.6
[M+K]+ 367.94070 169.4
[M+H-H2O]+ 311.97480 159.3
[M+HCOO]- 373.97574 184.8
[M+CH3COO]- 387.99139 203.8
[M+Na-2H]- 349.95221 168.7
[M]+ 328.97699 170.1
[M]- 328.97809 170.1
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.