CID 2774388

4-amino-3-nitrobenzene-1-sulfonamide

Structural Information

Molecular Formula
C6H7N3O4S
SMILES
C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])N
InChI
InChI=1S/C6H7N3O4S/c7-5-2-1-4(14(8,12)13)3-6(5)9(10)11/h1-3H,7H2,(H2,8,12,13)
InChIKey
DZJCUJCWFQPICK-UHFFFAOYSA-N
Compound name
4-amino-3-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

217.01573 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.02301 137.2
[M+Na]+ 240.00495 144.7
[M-H]- 216.00845 140.5
[M+NH4]+ 235.04955 153.9
[M+K]+ 255.97889 137.5
[M+H-H2O]+ 200.01299 135.5
[M+HCOO]- 262.01393 158.1
[M+CH3COO]- 276.02958 180.4
[M+Na-2H]- 237.99040 143.9
[M]+ 217.01518 134.2
[M]- 217.01628 134.2
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