CID 256619

5-chloro-2-methylbenzenesulfonamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

204.99643 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.00371 137.6
[M+Na]+ 227.98565 148.3
[M-H]- 203.98915 142.0
[M+NH4]+ 223.03025 158.0
[M+K]+ 243.95959 143.7
[M+H-H2O]+ 187.99369 133.6
[M+HCOO]- 249.99463 152.5
[M+CH3COO]- 264.01028 182.1
[M+Na-2H]- 225.97110 141.7
[M]+ 204.99588 140.7
[M]- 204.99698 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

literature stripe

Patent stripe

patents stripe