CID 674297

Pyridine, 4-(2-(3-nitrophenylsulfonyl)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C13H12N2O4S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)CCC2=CC=NC=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H12N2O4S/c16-15(17)12-2-1-3-13(10-12)20(18,19)9-6-11-4-7-14-8-5-11/h1-5,7-8,10H,6,9H2
InChIKey
FNXPSHBBWZNINN-UHFFFAOYSA-N
Compound name
4-[2-(3-nitrophenyl)sulfonylethyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.0518 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.05908 158.8
[M+Na]+ 315.04102 172.6
[M+NH4]+ 310.08562 165.8
[M+K]+ 331.01496 167.3
[M-H]- 291.04452 162.5
[M+Na-2H]- 313.02647 167.2
[M]+ 292.05125 162.2
[M]- 292.05235 162.2
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.