CID 12056902

5-bromo-2-fluoro-3-methylpyridine

Structural Information

Molecular Formula
C6H5BrFN
SMILES
CC1=CC(=CN=C1F)Br
InChI
InChI=1S/C6H5BrFN/c1-4-2-5(7)3-9-6(4)8/h2-3H,1H3
InChIKey
JLCVSFDCHKCISN-UHFFFAOYSA-N
Compound name
5-bromo-2-fluoro-3-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

255
Patents

188.95894 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.96622 131.3
[M+Na]+ 211.94816 135.8
[M+NH4]+ 206.99276 136.5
[M+K]+ 227.92210 135.1
[M-H]- 187.95166 131.1
[M+Na-2H]- 209.93361 135.6
[M]+ 188.95839 130.7
[M]- 188.95949 130.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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