CID 56604238

5-bromo-2-chloro-3-fluoro-4-trifluoromethylpyridine

Structural Information

Molecular Formula
C6HBrClF4N
SMILES
C1=C(C(=C(C(=N1)Cl)F)C(F)(F)F)Br
InChI
InChI=1S/C6HBrClF4N/c7-2-1-13-5(8)4(9)3(2)6(10,11)12/h1H
InChIKey
UIFASKPLFSNFHN-UHFFFAOYSA-N
Compound name
5-bromo-2-chloro-3-fluoro-4-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.8917 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.89898 142.9
[M+Na]+ 299.88092 159.0
[M-H]- 275.88442 144.0
[M+NH4]+ 294.92552 163.1
[M+K]+ 315.85486 145.2
[M+H-H2O]+ 259.88896 141.0
[M+HCOO]- 321.88990 154.8
[M+CH3COO]- 335.90555 192.9
[M+Na-2H]- 297.86637 149.3
[M]+ 276.89115 158.6
[M]- 276.89225 158.6
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.