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

17
Patents

189.02597 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.033246 133.2
[M+Na]+ 212.015188 144.3
[M-H]- 188.018694 135.4
[M+NH4]+ 207.059793 152.7
[M+K]+ 227.989128 141.5
[M+H-H2O]+ 172.023230 126.8
[M+HCOO]- 234.024171 150.1
[M+CH3COO]- 248.039821 179.4
[M+Na-2H]- 210.000636 137.8
[M]+ 189.02542142 135.7
[M]- 189.02651858 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