CID 115556238

5-chloro-2-methyl-4-nitrobenzene-1-sulfonamide

Structural Information

Molecular Formula
C7H7ClN2O4S
SMILES
CC1=CC(=C(C=C1S(=O)(=O)N)Cl)[N+](=O)[O-]
InChI
InChI=1S/C7H7ClN2O4S/c1-4-2-6(10(11)12)5(8)3-7(4)15(9,13)14/h2-3H,1H3,(H2,9,13,14)
InChIKey
XIKYZHHBOOLVMW-UHFFFAOYSA-N
Compound name
5-chloro-2-methyl-4-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.9815 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.988776 145.7
[M+Na]+ 272.970718 154.9
[M-H]- 248.974224 149.8
[M+NH4]+ 268.015323 163.0
[M+K]+ 288.944658 146.6
[M+H-H2O]+ 232.978760 145.9
[M+HCOO]- 294.979701 161.5
[M+CH3COO]- 308.995351 184.1
[M+Na-2H]- 270.956166 151.2
[M]+ 249.98095142 147.3
[M]- 249.98204858 147.3
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

No patent data available for this compound.