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]+ 283.030256 158.6
[M+Na]+ 305.012198 167.9
[M-H]- 281.015704 164.4
[M+NH4]+ 300.056803 174.1
[M+K]+ 320.986138 161.8
[M+H-H2O]+ 265.020240 151.7
[M+HCOO]- 327.021181 172.9
[M+CH3COO]- 341.036831 195.0
[M+Na-2H]- 302.997646 164.8
[M]+ 282.02243142 162.3
[M]- 282.02352858 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.