CID 73995151

1347814-95-2

Structural Information

Molecular Formula

C₈H₆ClNO₂

SMILES

C1=CC(=NC2=C1OC(=C2)CO)Cl

InChI

InChI=1S/C8H6ClNO2/c9-8-2-1-7-6(10-8)3-5(4-11)12-7/h1-3,11H,4H2

InChIKey

KEGRTUBZRMQESQ-UHFFFAOYSA-N

Compound name

(5-chlorofuro[3,2-b]pyridin-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 183.00871 Da
Monoisotopic Mass: 1.5
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]+	184.01599	131.0
[M+Na]+	205.99793	146.4
[M+NH4]+	201.04253	140.4
[M+K]+	221.97187	141.5
[M-H]-	182.00143	134.0
[M+Na-2H]-	203.98338	137.8
[M]+	183.00816	134.4
[M]-	183.00926	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe