CID 1088165

Pyridine, 4-(2-(4-chlorophenylsulfonyl)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C13H12ClNO2S
SMILES
C1=CC(=CC=C1S(=O)(=O)CCC2=CC=NC=C2)Cl
InChI
InChI=1S/C13H12ClNO2S/c14-12-1-3-13(4-2-12)18(16,17)10-7-11-5-8-15-9-6-11/h1-6,8-9H,7,10H2
InChIKey
WFHFSTXZBZTTPD-UHFFFAOYSA-N
Compound name
4-[2-(4-chlorophenyl)sulfonylethyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

281.02774 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.03502 159.0
[M+Na]+ 304.01696 168.8
[M-H]- 280.02046 164.8
[M+NH4]+ 299.06156 174.9
[M+K]+ 319.99090 162.7
[M+H-H2O]+ 264.02500 152.2
[M+HCOO]- 326.02594 172.0
[M+CH3COO]- 340.04159 193.1
[M+Na-2H]- 302.00241 164.0
[M]+ 281.02719 163.7
[M]- 281.02829 163.7
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.