CID 52953

Brn 3001909

Structural Information

Molecular Formula
C13H10AsCl2NO4
SMILES
C1=CC(=CC=C1NC(=O)C2=C(C=C(C=C2)Cl)Cl)[As](=O)(O)O
InChI
InChI=1S/C13H10AsCl2NO4/c15-9-3-6-11(12(16)7-9)13(18)17-10-4-1-8(2-5-10)14(19,20)21/h1-7H,(H,17,18)(H2,19,20,21)
InChIKey
QHAGTZPBMFPJGL-UHFFFAOYSA-N
Compound name
[4-[(2,4-dichlorobenzoyl)amino]phenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.9203 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.92758 176.9
[M+Na]+ 411.90952 185.6
[M-H]- 387.91302 180.8
[M+NH4]+ 406.95412 190.2
[M+K]+ 427.88346 179.1
[M+H-H2O]+ 371.91756 171.5
[M+HCOO]- 433.91850 187.8
[M+CH3COO]- 447.93415 203.3
[M+Na-2H]- 409.89497 179.9
[M]+ 388.91975 179.6
[M]- 388.92085 179.6
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.