CID 29790775

102074-49-7

Structural Information

Molecular Formula
C7H9ClN2O2S
SMILES
CNS(=O)(=O)C1=C(C=C(C=C1)N)Cl
InChI
InChI=1S/C7H9ClN2O2S/c1-10-13(11,12)7-3-2-5(9)4-6(7)8/h2-4,10H,9H2,1H3
InChIKey
UJIBPFPTVMYODT-UHFFFAOYSA-N
Compound name
4-amino-2-chloro-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.00732 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.01460 142.2
[M+Na]+ 242.99654 151.9
[M-H]- 219.00004 146.3
[M+NH4]+ 238.04114 161.5
[M+K]+ 258.97048 147.1
[M+H-H2O]+ 203.00458 137.6
[M+HCOO]- 265.00552 158.0
[M+CH3COO]- 279.02117 187.2
[M+Na-2H]- 240.98199 146.7
[M]+ 220.00677 144.5
[M]- 220.00787 144.5
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.