CID 710402

4-chloro-n-(pyridin-3-ylmethyl)benzenesulfonamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

282.02298 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.03026 158.6
[M+Na]+ 305.01220 167.9
[M-H]- 281.01570 164.4
[M+NH4]+ 300.05680 174.1
[M+K]+ 320.98614 161.8
[M+H-H2O]+ 265.02024 151.7
[M+HCOO]- 327.02118 172.9
[M+CH3COO]- 341.03683 195.0
[M+Na-2H]- 302.99765 164.8
[M]+ 282.02243 162.3
[M]- 282.02353 162.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.