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 142.4
[M+Na]+ 254.02059 152.1
[M+NH4]+ 249.06519 148.7
[M+K]+ 269.99453 149.7
[M-H]- 230.02409 144.5
[M+Na-2H]- 252.00604 147.0
[M]+ 231.03082 144.3
[M]- 231.03192 144.3
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