CID 72212852

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

Structural Information

Molecular Formula
C6H2BrClF3N
SMILES
C1=C(C(=CN=C1Br)C(F)(F)F)Cl
InChI
InChI=1S/C6H2BrClF3N/c7-5-1-4(8)3(2-12-5)6(9,10)11/h1-2H
InChIKey
AMGWVRKDUHQDQN-UHFFFAOYSA-N
Compound name
2-bromo-4-chloro-5-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

258.90112 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.908396 139.8
[M+Na]+ 281.890338 155.0
[M-H]- 257.893844 141.9
[M+NH4]+ 276.934943 160.5
[M+K]+ 297.864278 141.7
[M+H-H2O]+ 241.898380 138.7
[M+HCOO]- 303.899321 152.7
[M+CH3COO]- 317.914971 189.1
[M+Na-2H]- 279.875786 147.6
[M]+ 258.90057142 156.4
[M]- 258.90166858 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

patents stripe