CID 162345174

4-amino-3-chloro-n-methylidenebenzenesulfonamide

Structural Information

Molecular Formula
C7H7ClN2O2S
SMILES
C=NS(=O)(=O)C1=CC(=C(C=C1)N)Cl
InChI
InChI=1S/C7H7ClN2O2S/c1-10-13(11,12)5-2-3-7(9)6(8)4-5/h2-4H,1,9H2
InChIKey
HEJXRXSRWANOSA-UHFFFAOYSA-N
Compound name
4-amino-3-chloro-N-methylidenebenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.99167 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.998946 141.4
[M+Na]+ 240.980888 151.9
[M-H]- 216.984394 147.0
[M+NH4]+ 236.025493 161.4
[M+K]+ 256.954828 147.3
[M+H-H2O]+ 200.988930 136.6
[M+HCOO]- 262.989871 158.8
[M+CH3COO]- 277.005521 188.7
[M+Na-2H]- 238.966336 146.3
[M]+ 217.99112142 144.8
[M]- 217.99221858 144.8
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.