CID 2736434

2-bromo-5-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C6H3BrF3N
SMILES
C1=CC(=NC=C1C(F)(F)F)Br
InChI
InChI=1S/C6H3BrF3N/c7-5-2-1-4(3-11-5)6(8,9)10/h1-3H
InChIKey
GSKMWMFOQQBVMI-UHFFFAOYSA-N
Compound name
2-bromo-5-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2090
Patents

224.9401 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.947376 136.8
[M+Na]+ 247.929318 150.2
[M-H]- 223.932824 138.7
[M+NH4]+ 242.973923 157.6
[M+K]+ 263.903258 138.9
[M+H-H2O]+ 207.937360 134.9
[M+HCOO]- 269.938301 154.1
[M+CH3COO]- 283.953951 184.5
[M+Na-2H]- 245.914766 145.4
[M]+ 224.93955142 151.2
[M]- 224.94064858 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