CID 186795

67534-79-6

Structural Information

Molecular Formula

C₁₆H₁₁ClO₂

SMILES

CC1=C(OC2=CC=CC=C12)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H11ClO2/c1-10-13-4-2-3-5-14(13)19-16(10)15(18)11-6-8-12(17)9-7-11/h2-9H,1H3

InChIKey

UVBAHYOEAQYSPX-UHFFFAOYSA-N

Compound name

(4-chlorophenyl)-(3-methyl-1-benzofuran-2-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 270.04477 Da
Monoisotopic Mass: 5.0
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]+	271.05205	158.6
[M+Na]+	293.03399	170.5
[M-H]-	269.03749	168.0
[M+NH4]+	288.07859	177.8
[M+K]+	309.00793	165.6
[M+H-H2O]+	253.04203	152.8
[M+HCOO]-	315.04297	178.4
[M+CH3COO]-	329.05862	172.9
[M+Na-2H]-	291.01944	163.7
[M]+	270.04422	165.0
[M]-	270.04532	165.0

Literature stripe

literature stripe

Patent stripe

patents stripe