CID 72214004

4-bromo-3-chloro-5-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C6H2BrClF3N
SMILES
C1=C(C(=C(C=N1)Cl)Br)C(F)(F)F
InChI
InChI=1S/C6H2BrClF3N/c7-5-3(6(9,10)11)1-12-2-4(5)8/h1-2H
InChIKey
DXFJNMMCCARDPJ-UHFFFAOYSA-N
Compound name
4-bromo-3-chloro-5-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.90112 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.90840 139.8
[M+Na]+ 281.89034 155.0
[M-H]- 257.89384 141.9
[M+NH4]+ 276.93494 160.5
[M+K]+ 297.86428 141.7
[M+H-H2O]+ 241.89838 138.7
[M+HCOO]- 303.89932 152.7
[M+CH3COO]- 317.91497 189.1
[M+Na-2H]- 279.87579 147.6
[M]+ 258.90057 156.4
[M]- 258.90167 156.4
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.