CID 130095007

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.9401 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.947376 135.2
[M+Na]+ 247.929318 148.6
[M-H]- 223.932824 137.1
[M+NH4]+ 242.973923 156.0
[M+K]+ 263.903258 137.4
[M+H-H2O]+ 207.937360 132.9
[M+HCOO]- 269.938301 153.0
[M+CH3COO]- 283.953951 186.7
[M+Na-2H]- 245.914766 141.5
[M]+ 224.93955142 149.9
[M]- 224.94064858 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

No patent data available for this compound.