CID 60669

117238-46-7

Structural Information

Molecular Formula

C₁₅H₁₁ClO₂

SMILES

C1=CC=C2C(=C1)C=C(O2)C(C3=CC=CC=C3Cl)O

InChI

InChI=1S/C15H11ClO2/c16-12-7-3-2-6-11(12)15(17)14-9-10-5-1-4-8-13(10)18-14/h1-9,15,17H

InChIKey

AMJVVFHJMVZGEM-UHFFFAOYSA-N

Compound name

1-benzofuran-2-yl-(2-chlorophenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 258.04477 Da
Monoisotopic Mass: 3.8
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]+	259.05205	154.8
[M+Na]+	281.03399	165.5
[M-H]-	257.03749	162.6
[M+NH4]+	276.07859	173.6
[M+K]+	297.00793	160.6
[M+H-H2O]+	241.04203	149.3
[M+HCOO]-	303.04297	173.3
[M+CH3COO]-	317.05862	168.5
[M+Na-2H]-	279.01944	160.8
[M]+	258.04422	159.4
[M]-	258.04532	159.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe