CID 311763

4-amino-n-(4-nitrophenyl)benzenesulfonamide

Structural Information

Molecular Formula
C12H11N3O4S
SMILES
C1=CC(=CC=C1N)S(=O)(=O)NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H11N3O4S/c13-9-1-7-12(8-2-9)20(18,19)14-10-3-5-11(6-4-10)15(16)17/h1-8,14H,13H2
InChIKey
ACJNABKXDUDYAM-UHFFFAOYSA-N
Compound name
4-amino-N-(4-nitrophenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

293.04703 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.05431 158.5
[M+Na]+ 316.03625 164.5
[M-H]- 292.03975 164.9
[M+NH4]+ 311.08085 172.0
[M+K]+ 332.01019 155.9
[M+H-H2O]+ 276.04429 155.0
[M+HCOO]- 338.04523 179.6
[M+CH3COO]- 352.06088 195.2
[M+Na-2H]- 314.02170 166.3
[M]+ 293.04648 156.2
[M]- 293.04758 156.2
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

patents stripe