CID 58493725

6-fluoro-2-methyl-3-(methylsulfonyl)pyridine

Structural Information

Molecular Formula
C7H8FNO2S
SMILES
CC1=C(C=CC(=N1)F)S(=O)(=O)C
InChI
InChI=1S/C7H8FNO2S/c1-5-6(12(2,10)11)3-4-7(8)9-5/h3-4H,1-2H3
InChIKey
IPAGEVKSCYHZQF-UHFFFAOYSA-N
Compound name
6-fluoro-2-methyl-3-methylsulfonylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

189.02597 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.03325 133.2
[M+Na]+ 212.01519 144.3
[M-H]- 188.01869 135.4
[M+NH4]+ 207.05979 152.7
[M+K]+ 227.98913 141.5
[M+H-H2O]+ 172.02323 126.8
[M+HCOO]- 234.02417 150.1
[M+CH3COO]- 248.03982 179.4
[M+Na-2H]- 210.00064 137.8
[M]+ 189.02542 135.7
[M]- 189.02652 135.7
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

patents stripe