CID 59525899

1-(6-bromopyridin-2-yl)ethane-1,2-diol

Structural Information

Molecular Formula

C₇H₈BrNO₂

SMILES

C1=CC(=NC(=C1)Br)C(CO)O

InChI

InChI=1S/C7H8BrNO2/c8-7-3-1-2-5(9-7)6(11)4-10/h1-3,6,10-11H,4H2

InChIKey

WQARHIGYIBQVDK-UHFFFAOYSA-N

Compound name

1-(6-bromo-2-pyridinyl)ethane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 216.97385 Da
Monoisotopic Mass: 0.4
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]+	217.981126	136.6
[M+Na]+	239.963068	147.5
[M-H]-	215.966574	139.2
[M+NH4]+	235.007673	156.1
[M+K]+	255.937008	136.5
[M+H-H2O]+	199.971110	136.6
[M+HCOO]-	261.972051	154.6
[M+CH3COO]-	275.987701	179.5
[M+Na-2H]-	237.948516	143.9
[M]+	216.97330142	153.8
[M]-	216.97439858	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe