CID 43446378

4-(ethenesulfonyl)pyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.01974 Da
Monoisotopic Mass

0.6
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.