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

11
Patents

240.91055 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.91783 134.7
[M+Na]+ 263.89977 149.2
[M-H]- 239.90327 137.8
[M+NH4]+ 258.94437 156.0
[M+K]+ 279.87371 136.4
[M+H-H2O]+ 223.90781 134.1
[M+HCOO]- 285.90875 149.3
[M+CH3COO]- 299.92440 187.6
[M+Na-2H]- 261.88522 141.6
[M]+ 240.91000 152.5
[M]- 240.91110 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