CID 12709653

N-(4-amino-3-nitrophenyl)methanesulfonamide

Structural Information

Molecular Formula
C7H9N3O4S
SMILES
CS(=O)(=O)NC1=CC(=C(C=C1)N)[N+](=O)[O-]
InChI
InChI=1S/C7H9N3O4S/c1-15(13,14)9-5-2-3-6(8)7(4-5)10(11)12/h2-4,9H,8H2,1H3
InChIKey
COFHKEDMRYSCBR-UHFFFAOYSA-N
Compound name
N-(4-amino-3-nitrophenyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

231.03137 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.03865 141.6
[M+Na]+ 254.02059 148.6
[M-H]- 230.02409 145.2
[M+NH4]+ 249.06519 158.1
[M+K]+ 269.99453 141.6
[M+H-H2O]+ 214.02863 139.7
[M+HCOO]- 276.02957 162.8
[M+CH3COO]- 290.04522 184.1
[M+Na-2H]- 252.00604 148.9
[M]+ 231.03082 139.9
[M]- 231.03192 139.9
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