CID 44754878

3-bromo-2-fluoro-4-methylpyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

188.95894 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.966216 126.8
[M+Na]+ 211.948158 140.6
[M-H]- 187.951664 131.4
[M+NH4]+ 206.992763 149.4
[M+K]+ 227.922098 129.9
[M+H-H2O]+ 171.956200 126.6
[M+HCOO]- 233.957141 147.7
[M+CH3COO]- 247.972791 180.7
[M+Na-2H]- 209.933606 135.9
[M]+ 188.95839142 144.5
[M]- 188.95948858 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