CID 211073

4-amino-3-chloro-n-methylbenzenesulfonamide

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

39
Patents

220.00732 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.014596 142.2
[M+Na]+ 242.996538 151.9
[M-H]- 219.000044 146.3
[M+NH4]+ 238.041143 161.5
[M+K]+ 258.970478 147.1
[M+H-H2O]+ 203.004580 137.6
[M+HCOO]- 265.005521 158.0
[M+CH3COO]- 279.021171 187.2
[M+Na-2H]- 240.981986 146.7
[M]+ 220.00677142 144.5
[M]- 220.00786858 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

patents stripe