CID 2761197

5-bromo-2-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C6H3BrF3N
SMILES
C1=CC(=NC=C1Br)C(F)(F)F
InChI
InChI=1S/C6H3BrF3N/c7-4-1-2-5(11-3-4)6(8,9)10/h1-3H
InChIKey
RPFAUCIXZGMCFN-UHFFFAOYSA-N
Compound name
5-bromo-2-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1901
Patents

224.9401 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.94738 136.8
[M+Na]+ 247.92932 150.2
[M-H]- 223.93282 138.7
[M+NH4]+ 242.97392 157.6
[M+K]+ 263.90326 138.9
[M+H-H2O]+ 207.93736 134.9
[M+HCOO]- 269.93830 154.1
[M+CH3COO]- 283.95395 184.5
[M+Na-2H]- 245.91477 145.4
[M]+ 224.93955 151.2
[M]- 224.94065 151.2
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