CID 56604234

3,4-dibromo-5-fluoropyridine

Structural Information

Molecular Formula

C₅H₂Br₂FN

SMILES

C1=C(C(=C(C=N1)Br)Br)F

InChI

InChI=1S/C5H2Br2FN/c6-3-1-9-2-4(8)5(3)7/h1-2H

InChIKey

KJVNORXSGJINCX-UHFFFAOYSA-N

Compound name

3,4-dibromo-5-fluoropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 252.8538 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	253.86108	126.2
[M+Na]+	275.84302	139.0
[M-H]-	251.84652	131.6
[M+NH4]+	270.88762	146.2
[M+K]+	291.81696	123.9
[M+H-H2O]+	235.85106	134.2
[M+HCOO]-	297.85200	142.3
[M+CH3COO]-	311.86765	196.6
[M+Na-2H]-	273.82847	135.3
[M]+	252.85325	159.2
[M]-	252.85435	159.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.