CID 165942747

5-bromo-4-chloro-2,3-difluoropyridine

Structural Information

Molecular Formula
C5HBrClF2N
SMILES
C1=C(C(=C(C(=N1)F)F)Cl)Br
InChI
InChI=1S/C5HBrClF2N/c6-2-1-10-5(9)4(8)3(2)7/h1H
InChIKey
KDZCINHFJHUMDT-UHFFFAOYSA-N
Compound name
5-bromo-4-chloro-2,3-difluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.8949 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.90218 129.3
[M+Na]+ 249.88412 145.3
[M-H]- 225.88762 132.8
[M+NH4]+ 244.92872 151.4
[M+K]+ 265.85806 132.4
[M+H-H2O]+ 209.89216 129.1
[M+HCOO]- 271.89310 145.1
[M+CH3COO]- 285.90875 185.1
[M+Na-2H]- 247.86957 137.3
[M]+ 226.89435 147.7
[M]- 226.89545 147.7
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.