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 162.6
[M+Na]+ 315.04102 169.4
[M-H]- 291.04452 168.2
[M+NH4]+ 310.08562 175.7
[M+K]+ 331.01496 161.0
[M+H-H2O]+ 275.04906 158.9
[M+HCOO]- 337.05000 181.0
[M+CH3COO]- 351.06565 190.6
[M+Na-2H]- 313.02647 170.2
[M]+ 292.05125 163.2
[M]- 292.05235 163.2
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.