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

101
Patents

217.01573 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.023006 137.2
[M+Na]+ 240.004948 144.7
[M-H]- 216.008454 140.5
[M+NH4]+ 235.049553 153.9
[M+K]+ 255.978888 137.5
[M+H-H2O]+ 200.012990 135.5
[M+HCOO]- 262.013931 158.1
[M+CH3COO]- 276.029581 180.4
[M+Na-2H]- 237.990396 143.9
[M]+ 217.01518142 134.2
[M]- 217.01627858 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