CID 21816563

3-bromo-2-fluoro-5-methylpyridine

Structural Information

Molecular Formula
C6H5BrFN
SMILES
CC1=CC(=C(N=C1)F)Br
InChI
InChI=1S/C6H5BrFN/c1-4-2-5(7)6(8)9-3-4/h2-3H,1H3
InChIKey
FWKQBHMQYXTOTD-UHFFFAOYSA-N
Compound name
3-bromo-2-fluoro-5-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
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

No literature data available for this compound.

Patent stripe

patents stripe