CID 125512457

5-bromo-2-(bromodifluoromethyl)pyridine

Structural Information

Molecular Formula

C₆H₃Br₂F₂N

SMILES

C1=CC(=NC=C1Br)C(F)(F)Br

InChI

InChI=1S/C6H3Br2F2N/c7-4-1-2-5(11-3-4)6(8,9)10/h1-3H

InChIKey

AWMHDAHJQMODGN-UHFFFAOYSA-N

Compound name

5-bromo-2-[bromo(difluoro)methyl]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 284.86002 Da
Monoisotopic Mass: 2.9
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]+	285.86730	138.9
[M+Na]+	307.84924	150.9
[M-H]-	283.85274	143.0
[M+NH4]+	302.89384	157.6
[M+K]+	323.82318	135.4
[M+H-H2O]+	267.85728	146.2
[M+HCOO]-	329.85822	152.5
[M+CH3COO]-	343.87387	200.4
[M+Na-2H]-	305.83469	147.3
[M]+	284.85947	170.4
[M]-	284.86057	170.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe