CID 122455783

5-bromo-3-chloro-2-(difluoromethyl)pyridine

Structural Information

Molecular Formula
C6H3BrClF2N
SMILES
C1=C(C=NC(=C1Cl)C(F)F)Br
InChI
InChI=1S/C6H3BrClF2N/c7-3-1-4(8)5(6(9)10)11-2-3/h1-2,6H
InChIKey
CNPBAPDKFJPWRX-UHFFFAOYSA-N
Compound name
5-bromo-3-chloro-2-(difluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

240.91055 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.917826 134.7
[M+Na]+ 263.899768 149.2
[M-H]- 239.903274 137.8
[M+NH4]+ 258.944373 156.0
[M+K]+ 279.873708 136.4
[M+H-H2O]+ 223.907810 134.1
[M+HCOO]- 285.908751 149.3
[M+CH3COO]- 299.924401 187.6
[M+Na-2H]- 261.885216 141.6
[M]+ 240.91000142 152.5
[M]- 240.91109858 152.5
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