CID 3694545

327092-99-9

Structural Information

Molecular Formula
C12H11ClN2O2S
SMILES
C1=CC=C(C(=C1)NS(=O)(=O)C2=CC=CC(=C2)N)Cl
InChI
InChI=1S/C12H11ClN2O2S/c13-11-6-1-2-7-12(11)15-18(16,17)10-5-3-4-9(14)8-10/h1-8,15H,14H2
InChIKey
KAJGFQWVVOEZJQ-UHFFFAOYSA-N
Compound name
3-amino-N-(2-chlorophenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

282.02298 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.03026 158.9
[M+Na]+ 305.01220 168.1
[M-H]- 281.01570 165.8
[M+NH4]+ 300.05680 175.3
[M+K]+ 320.98614 161.7
[M+H-H2O]+ 265.02024 152.8
[M+HCOO]- 327.02118 174.8
[M+CH3COO]- 341.03683 198.0
[M+Na-2H]- 302.99765 163.9
[M]+ 282.02243 160.9
[M]- 282.02353 160.9
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