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]+ 282.035016 159.0
[M+Na]+ 304.016958 168.8
[M-H]- 280.020464 164.8
[M+NH4]+ 299.061563 174.9
[M+K]+ 319.990898 162.7
[M+H-H2O]+ 264.025000 152.2
[M+HCOO]- 326.025941 172.0
[M+CH3COO]- 340.041591 193.1
[M+Na-2H]- 302.002406 164.0
[M]+ 281.02719142 163.7
[M]- 281.02828858 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.