CID 83679733

6-bromo-3-fluoro-2,4-dimethylpyridine

Structural Information

Molecular Formula
C7H7BrFN
SMILES
CC1=CC(=NC(=C1F)C)Br
InChI
InChI=1S/C7H7BrFN/c1-4-3-6(8)10-5(2)7(4)9/h3H,1-2H3
InChIKey
YBKODQFKNVRBLI-UHFFFAOYSA-N
Compound name
6-bromo-3-fluoro-2,4-dimethylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

202.9746 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.98188 130.9
[M+Na]+ 225.96382 145.1
[M-H]- 201.96732 135.6
[M+NH4]+ 221.00842 153.2
[M+K]+ 241.93776 134.2
[M+H-H2O]+ 185.97186 130.6
[M+HCOO]- 247.97280 151.4
[M+CH3COO]- 261.98845 184.5
[M+Na-2H]- 223.94927 138.7
[M]+ 202.97405 149.2
[M]- 202.97515 149.2
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