CID 4362806

2-[(5-bromopyridin-3-yl)oxy]ethan-1-ol

Structural Information

Molecular Formula

C₇H₈BrNO₂

SMILES

C1=C(C=NC=C1Br)OCCO

InChI

InChI=1S/C7H8BrNO2/c8-6-3-7(5-9-4-6)11-2-1-10/h3-5,10H,1-2H2

InChIKey

XABUXSYPUWVAIO-UHFFFAOYSA-N

Compound name

2-[(5-bromo-3-pyridinyl)oxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 216.97385 Da
Monoisotopic Mass: 0.8
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	134.9
[M+Na]+	239.963068	146.6
[M-H]-	215.966574	138.8
[M+NH4]+	235.007673	155.3
[M+K]+	255.937008	136.1
[M+H-H2O]+	199.971110	134.8
[M+HCOO]-	261.972051	155.4
[M+CH3COO]-	275.987701	181.1
[M+Na-2H]-	237.948516	144.0
[M]+	216.97330142	154.5
[M]-	216.97439858	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe