CID 56604237

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.93066 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.93794 140.3
[M+Na]+ 265.91988 154.5
[M-H]- 241.92338 141.2
[M+NH4]+ 260.96448 160.5
[M+K]+ 281.89382 142.8
[M+H-H2O]+ 225.92792 137.6
[M+HCOO]- 287.92886 156.5
[M+CH3COO]- 301.94451 188.3
[M+Na-2H]- 263.90533 147.5
[M]+ 242.93011 153.7
[M]- 242.93121 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

No patent data available for this compound.