CID 19937263

3-bromo-4-(trifluoromethyl)pyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

270
Patents

224.9401 Da
Monoisotopic Mass

2.4
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

No literature data available for this compound.

Patent stripe

patents stripe