CID 21441094

2-(bromomethyl)-5-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C7H5BrF3N
SMILES
C1=CC(=NC=C1C(F)(F)F)CBr
InChI
InChI=1S/C7H5BrF3N/c8-3-6-2-1-5(4-12-6)7(9,10)11/h1-2,4H,3H2
InChIKey
UMXIAVUQROUXKO-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-5-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

139
Patents

238.95575 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.963026 141.5
[M+Na]+ 261.944968 154.5
[M-H]- 237.948474 143.2
[M+NH4]+ 256.989573 161.8
[M+K]+ 277.918908 143.0
[M+H-H2O]+ 221.953010 139.4
[M+HCOO]- 283.953951 158.5
[M+CH3COO]- 297.969601 187.3
[M+Na-2H]- 259.930416 149.5
[M]+ 238.95520142 156.2
[M]- 238.95629858 156.2
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