CID 224282

5410-60-6

Structural Information

Molecular Formula
C12H13AsN2O5S
SMILES
C1=CC(=CC=C1N)S(=O)(=O)NC2=CC=C(C=C2)[As](=O)(O)O
InChI
InChI=1S/C12H13AsN2O5S/c14-10-3-7-12(8-4-10)21(19,20)15-11-5-1-9(2-6-11)13(16,17)18/h1-8,15H,14H2,(H2,16,17,18)
InChIKey
NGIQTCFKKARFHT-UHFFFAOYSA-N
Compound name
[4-[(4-aminophenyl)sulfonylamino]phenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.9761 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.98338 176.5
[M+Na]+ 394.96532 182.7
[M-H]- 370.96882 179.7
[M+NH4]+ 390.00992 188.2
[M+K]+ 410.93926 177.8
[M+H-H2O]+ 354.97336 168.8
[M+HCOO]- 416.97430 191.9
[M+CH3COO]- 430.98995 201.5
[M+Na-2H]- 392.95077 181.3
[M]+ 371.97555 175.7
[M]- 371.97665 175.7
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

No patent data available for this compound.