CID 81385

4-methyl-3-nitrobenzenesulfonamide

Structural Information

Molecular Formula
C7H8N2O4S
SMILES
CC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C7H8N2O4S/c1-5-2-3-6(14(8,12)13)4-7(5)9(10)11/h2-4H,1H3,(H2,8,12,13)
InChIKey
HVCWTENLJRUJPU-UHFFFAOYSA-N
Compound name
4-methyl-3-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

216.02048 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.02776 139.4
[M+Na]+ 239.00970 150.4
[M+NH4]+ 234.05430 146.3
[M+K]+ 254.98364 147.6
[M-H]- 215.01320 141.3
[M+Na-2H]- 236.99515 144.3
[M]+ 216.01993 141.6
[M]- 216.02103 141.6
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