CID 738660

33342-29-9

Structural Information

Molecular Formula

C₁₁H₉ClO₂

SMILES

C1=CC(=CC=C1C2=CC=C(O2)CO)Cl

InChI

InChI=1S/C11H9ClO2/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-6,13H,7H2

InChIKey

PMHZVTQIEAIJBK-UHFFFAOYSA-N

Compound name

[5-(4-chlorophenyl)furan-2-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 208.02911 Da
Monoisotopic Mass: 2.4
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]+	209.03639	141.6
[M+Na]+	231.01833	151.8
[M-H]-	207.02183	148.2
[M+NH4]+	226.06293	161.4
[M+K]+	246.99227	148.0
[M+H-H2O]+	191.02637	136.6
[M+HCOO]-	253.02731	161.2
[M+CH3COO]-	267.04296	180.4
[M+Na-2H]-	229.00378	147.2
[M]+	208.02856	144.9
[M]-	208.02966	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe