CID 12283714

5-chlorofuran-2-carbonyl chloride

Structural Information

Molecular Formula

C₅H₂Cl₂O₂

SMILES

C1=C(OC(=C1)Cl)C(=O)Cl

InChI

InChI=1S/C5H2Cl2O2/c6-4-2-1-3(9-4)5(7)8/h1-2H

InChIKey

RKSXGRQSAQOXJO-UHFFFAOYSA-N

Compound name

5-chlorofuran-2-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 163.94319 Da
Monoisotopic Mass: 2.8
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]+	164.95047	126.4
[M+Na]+	186.93241	137.4
[M-H]-	162.93591	130.6
[M+NH4]+	181.97701	148.8
[M+K]+	202.90635	134.7
[M+H-H2O]+	146.94045	123.4
[M+HCOO]-	208.94139	141.8
[M+CH3COO]-	222.95704	173.3
[M+Na-2H]-	184.91786	132.1
[M]+	163.94264	130.7
[M]-	163.94374	130.7

Literature stripe

literature stripe

Patent stripe

patents stripe