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 146.2
[M+Na]+ 272.97072 158.4
[M+NH4]+ 268.01532 153.4
[M+K]+ 288.94466 154.8
[M-H]- 248.97422 148.2
[M+Na-2H]- 270.95617 150.9
[M]+ 249.98095 149.0
[M]- 249.98205 149.0
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.