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]+ 250.98878 145.7
[M+Na]+ 272.97072 154.9
[M-H]- 248.97422 149.8
[M+NH4]+ 268.01532 163.0
[M+K]+ 288.94466 146.6
[M+H-H2O]+ 232.97876 145.9
[M+HCOO]- 294.97970 161.5
[M+CH3COO]- 308.99535 184.1
[M+Na-2H]- 270.95617 151.2
[M]+ 249.98095 147.3
[M]- 249.98205 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.