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

16
Patents

231.03137 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.038646 141.6
[M+Na]+ 254.020588 148.6
[M-H]- 230.024094 145.2
[M+NH4]+ 249.065193 158.1
[M+K]+ 269.994528 141.6
[M+H-H2O]+ 214.028630 139.7
[M+HCOO]- 276.029571 162.8
[M+CH3COO]- 290.045221 184.1
[M+Na-2H]- 252.006036 148.9
[M]+ 231.03082142 139.9
[M]- 231.03191858 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