CID 29043473

1036596-00-5

Structural Information

Molecular Formula
C8H11ClN2O2S
SMILES
CCNS(=O)(=O)C1=C(C=C(C=C1)N)Cl
InChI
InChI=1S/C8H11ClN2O2S/c1-2-11-14(12,13)8-4-3-6(10)5-7(8)9/h3-5,11H,2,10H2,1H3
InChIKey
NUFGISAWONJDLQ-UHFFFAOYSA-N
Compound name
4-amino-2-chloro-N-ethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.02298 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.03026 146.6
[M+Na]+ 257.01220 155.9
[M-H]- 233.01570 150.5
[M+NH4]+ 252.05680 165.3
[M+K]+ 272.98614 150.9
[M+H-H2O]+ 217.02024 141.8
[M+HCOO]- 279.02118 162.1
[M+CH3COO]- 293.03683 190.2
[M+Na-2H]- 254.99765 150.6
[M]+ 234.02243 149.3
[M]- 234.02353 149.3
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.