CID 3050826

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

Structural Information

Molecular Formula
C13H12BrNO2S
SMILES
C1=CC(=CC=C1S(=O)(=O)CCC2=CC=NC=C2)Br
InChI
InChI=1S/C13H12BrNO2S/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
MQONIQRHBJMDMB-UHFFFAOYSA-N
Compound name
4-[2-(4-bromophenyl)sulfonylethyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.9772 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.98448 150.5
[M+Na]+ 347.96642 155.4
[M+NH4]+ 343.01102 155.3
[M+K]+ 363.94036 153.4
[M-H]- 323.96992 152.3
[M+Na-2H]- 345.95187 156.9
[M]+ 324.97665 151.1
[M]- 324.97775 151.1
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.