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

161
Patents

238.95575 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.96303 141.5
[M+Na]+ 261.94497 154.5
[M-H]- 237.94847 143.2
[M+NH4]+ 256.98957 161.8
[M+K]+ 277.91891 143.0
[M+H-H2O]+ 221.95301 139.4
[M+HCOO]- 283.95395 158.5
[M+CH3COO]- 297.96960 187.3
[M+Na-2H]- 259.93042 149.5
[M]+ 238.95520 156.2
[M]- 238.95630 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