CID 19426940

57241-17-5

Structural Information

Molecular Formula

SMILES

C1=COC=C1C(=O)CCl

InChI

InChI=1S/C6H5ClO2/c7-3-6(8)5-1-2-9-4-5/h1-2,4H,3H2

InChIKey

YJFXXLDGEROFDM-UHFFFAOYSA-N

Compound name

2-chloro-1-(furan-3-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 143.9978 Da
Monoisotopic Mass: 1.8
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]+	145.005076	124.9
[M+Na]+	166.987018	134.3
[M-H]-	142.990524	129.3
[M+NH4]+	162.031623	147.5
[M+K]+	182.960958	133.0
[M+H-H2O]+	126.995060	120.9
[M+HCOO]-	188.996001	145.2
[M+CH3COO]-	203.011651	170.2
[M+Na-2H]-	164.972466	131.6
[M]+	143.99725142	128.3
[M]-	143.99834858	128.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe