CID 82980

12223-84-6

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

7
References

8
Patents

293.04703 Da
Monoisotopic Mass

2.2
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

literature stripe

Patent stripe

patents stripe