CID 139559644

2-(6-bromopyridin-3-yl)-2,2-difluoroethan-1-ol

Structural Information

Molecular Formula

C₇H₆BrF₂NO

SMILES

C1=CC(=NC=C1C(CO)(F)F)Br

InChI

InChI=1S/C7H6BrF2NO/c8-6-2-1-5(3-11-6)7(9,10)4-12/h1-3,12H,4H2

InChIKey

LUZQRXWOKPNLBE-UHFFFAOYSA-N

Compound name

2-(6-bromo-3-pyridinyl)-2,2-difluoroethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 236.96008 Da
Monoisotopic Mass: 1.6
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]+	237.967356	141.3
[M+Na]+	259.949298	153.5
[M-H]-	235.952804	142.9
[M+NH4]+	254.993903	160.9
[M+K]+	275.923238	142.0
[M+H-H2O]+	219.957340	140.0
[M+HCOO]-	281.958281	158.0
[M+CH3COO]-	295.973931	184.6
[M+Na-2H]-	257.934746	149.5
[M]+	236.95953142	156.8
[M]-	236.96062858	156.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe