CID 13537536

2-bromo-3-fluoro-5-methylpyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

261
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 126.8
[M+Na]+ 211.94816 140.6
[M-H]- 187.95166 131.4
[M+NH4]+ 206.99276 149.4
[M+K]+ 227.92210 129.9
[M+H-H2O]+ 171.95620 126.6
[M+HCOO]- 233.95714 147.7
[M+CH3COO]- 247.97279 180.7
[M+Na-2H]- 209.93361 135.9
[M]+ 188.95839 144.5
[M]- 188.95949 144.5
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

patents stripe