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]+ 170.02702 131.4
[M+Na]+ 192.00896 141.1
[M-H]- 168.01246 134.3
[M+NH4]+ 187.05356 151.1
[M+K]+ 207.98290 138.1
[M+H-H2O]+ 152.01700 125.7
[M+HCOO]- 214.01794 149.6
[M+CH3COO]- 228.03359 173.5
[M+Na-2H]- 189.99441 137.8
[M]+ 169.01919 133.5
[M]- 169.02029 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.