CID 53415062

5-bromo-2-(difluoromethyl)pyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

564
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

literature stripe

Patent stripe

patents stripe