CID 56604226

3-bromo-2-chloro-4-fluoropyridine

Structural Information

Molecular Formula
C5H2BrClFN
SMILES
C1=CN=C(C(=C1F)Br)Cl
InChI
InChI=1S/C5H2BrClFN/c6-4-3(8)1-2-9-5(4)7/h1-2H
InChIKey
LZEIWXPQMDFERY-UHFFFAOYSA-N
Compound name
3-bromo-2-chloro-4-fluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

208.90433 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.91161 126.4
[M+Na]+ 231.89355 141.5
[M-H]- 207.89705 130.9
[M+NH4]+ 226.93815 149.1
[M+K]+ 247.86749 129.1
[M+H-H2O]+ 191.90159 127.0
[M+HCOO]- 253.90253 143.2
[M+CH3COO]- 267.91818 181.5
[M+Na-2H]- 229.87900 135.7
[M]+ 208.90378 145.5
[M]- 208.90488 145.5
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