CID 118420208

5-bromo-3-(difluoromethyl)-2-fluoropyridine

Structural Information

Molecular Formula
C6H3BrF3N
SMILES
C1=C(C=NC(=C1C(F)F)F)Br
InChI
InChI=1S/C6H3BrF3N/c7-3-1-4(5(8)9)6(10)11-2-3/h1-2,5H
InChIKey
BMPXRHMVKOFTSU-UHFFFAOYSA-N
Compound name
5-bromo-3-(difluoromethyl)-2-fluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

224.9401 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.94738 135.2
[M+Na]+ 247.92932 148.6
[M-H]- 223.93282 137.1
[M+NH4]+ 242.97392 156.0
[M+K]+ 263.90326 137.4
[M+H-H2O]+ 207.93736 132.9
[M+HCOO]- 269.93830 153.0
[M+CH3COO]- 283.95395 186.7
[M+Na-2H]- 245.91477 141.5
[M]+ 224.93955 149.9
[M]- 224.94065 149.9
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