CID 54758836

3-bromo-2-(difluoromethyl)pyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

162
Patents

206.94952 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.95680 131.9
[M+Na]+ 229.93874 144.4
[M-H]- 205.94224 134.8
[M+NH4]+ 224.98334 153.2
[M+K]+ 245.91268 133.7
[M+H-H2O]+ 189.94678 130.4
[M+HCOO]- 251.94772 150.7
[M+CH3COO]- 265.96337 183.0
[M+Na-2H]- 227.92419 139.6
[M]+ 206.94897 147.5
[M]- 206.95007 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