CID 101597397

3-chloro-5-methylbenzenesulfonamide

Structural Information

Molecular Formula
C7H8ClNO2S
SMILES
CC1=CC(=CC(=C1)Cl)S(=O)(=O)N
InChI
InChI=1S/C7H8ClNO2S/c1-5-2-6(8)4-7(3-5)12(9,10)11/h2-4H,1H3,(H2,9,10,11)
InChIKey
JGFPCKRDUWLITF-UHFFFAOYSA-N
Compound name
3-chloro-5-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.99643 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.003706 137.6
[M+Na]+ 227.985648 148.3
[M-H]- 203.989154 142.0
[M+NH4]+ 223.030253 158.0
[M+K]+ 243.959588 143.7
[M+H-H2O]+ 187.993690 133.6
[M+HCOO]- 249.994631 152.5
[M+CH3COO]- 264.010281 182.1
[M+Na-2H]- 225.971096 141.7
[M]+ 204.99588142 140.7
[M]- 204.99697858 140.7
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.