CID 165868870

1-(pyridin-2-yl)ethane-1-sulfonyl fluoride

Structural Information

Molecular Formula
C7H8FNO2S
SMILES
CC(C1=CC=CC=N1)S(=O)(=O)F
InChI
InChI=1S/C7H8FNO2S/c1-6(12(8,10)11)7-4-2-3-5-9-7/h2-6H,1H3
InChIKey
FQHGFRPTRVOIFI-UHFFFAOYSA-N
Compound name
1-pyridin-2-ylethanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.02597 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.03325 134.3
[M+Na]+ 212.01519 143.3
[M-H]- 188.01869 135.8
[M+NH4]+ 207.05979 153.0
[M+K]+ 227.98913 141.0
[M+H-H2O]+ 172.02323 127.5
[M+HCOO]- 234.02417 150.2
[M+CH3COO]- 248.03982 178.0
[M+Na-2H]- 210.00064 139.1
[M]+ 189.02542 135.3
[M]- 189.02652 135.3
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.