CID 58579539

4-bromo-2-(difluoromethyl)pyridine

Structural Information

Molecular Formula
C6H4BrF2N
SMILES
C1=CN=C(C=C1Br)C(F)F
InChI
InChI=1S/C6H4BrF2N/c7-4-1-2-10-5(3-4)6(8)9/h1-3,6H
InChIKey
MNMLGZMORMDPJI-UHFFFAOYSA-N
Compound name
4-bromo-2-(difluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

265
Patents

206.94952 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.956796 131.9
[M+Na]+ 229.938738 144.4
[M-H]- 205.942244 134.8
[M+NH4]+ 224.983343 153.2
[M+K]+ 245.912678 133.7
[M+H-H2O]+ 189.946780 130.4
[M+HCOO]- 251.947721 150.7
[M+CH3COO]- 265.963371 183.0
[M+Na-2H]- 227.924186 139.6
[M]+ 206.94897142 147.5
[M]- 206.95006858 147.5
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