CID 68471500

5-bromo-4-methyl-2-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C7H5BrF3N
SMILES
CC1=CC(=NC=C1Br)C(F)(F)F
InChI
InChI=1S/C7H5BrF3N/c1-4-2-6(7(9,10)11)12-3-5(4)8/h2-3H,1H3
InChIKey
MIJYRALTRQVVAF-UHFFFAOYSA-N
Compound name
5-bromo-4-methyl-2-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

238.95575 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.96303 151.0
[M+Na]+ 261.94497 153.2
[M+NH4]+ 256.98957 154.0
[M+K]+ 277.91891 152.8
[M-H]- 237.94847 147.4
[M+Na-2H]- 259.93042 152.7
[M]+ 238.95520 149.1
[M]- 238.95630 149.1
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