CID 56587809

3-bromo-5-fluoro-2-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C6H2BrF4N
SMILES
C1=C(C=NC(=C1Br)C(F)(F)F)F
InChI
InChI=1S/C6H2BrF4N/c7-4-1-3(8)2-12-5(4)6(9,10)11/h1-2H
InChIKey
RRRFJEMWVAWRIX-UHFFFAOYSA-N
Compound name
3-bromo-5-fluoro-2-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

242.93066 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.937936 140.3
[M+Na]+ 265.919878 154.5
[M-H]- 241.923384 141.2
[M+NH4]+ 260.964483 160.5
[M+K]+ 281.893818 142.8
[M+H-H2O]+ 225.927920 137.6
[M+HCOO]- 287.928861 156.5
[M+CH3COO]- 301.944511 188.3
[M+Na-2H]- 263.905326 147.5
[M]+ 242.93011142 153.7
[M]- 242.93120858 153.7
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