CID 15519370

2-(ethenesulfonyl)pyridine

Structural Information

Molecular Formula
C7H7NO2S
SMILES
C=CS(=O)(=O)C1=CC=CC=N1
InChI
InChI=1S/C7H7NO2S/c1-2-11(9,10)7-5-3-4-6-8-7/h2-6H,1H2
InChIKey
DXYQUJZXESJFQB-UHFFFAOYSA-N
Compound name
2-ethenylsulfonylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

169.01974 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.027016 131.4
[M+Na]+ 192.008958 141.1
[M-H]- 168.012464 134.3
[M+NH4]+ 187.053563 151.1
[M+K]+ 207.982898 138.1
[M+H-H2O]+ 152.017000 125.7
[M+HCOO]- 214.017941 149.6
[M+CH3COO]- 228.033591 173.5
[M+Na-2H]- 189.994406 137.8
[M]+ 169.01919142 133.5
[M]- 169.02028858 133.5
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

patents stripe