CID 2776123

3-furoyl chloride

Structural Information

Molecular Formula

SMILES

C1=COC=C1C(=O)Cl

InChI

InChI=1S/C5H3ClO2/c6-5(7)4-1-2-8-3-4/h1-3H

InChIKey

BTUIFMCWPFMNRG-UHFFFAOYSA-N

Compound name

furan-3-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 952
Patents: 129.98216 Da
Monoisotopic Mass: 2.0
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]+	130.989436	120.0
[M+Na]+	152.971378	129.8
[M-H]-	128.974884	124.6
[M+NH4]+	148.015983	143.2
[M+K]+	168.945318	128.8
[M+H-H2O]+	112.979420	116.2
[M+HCOO]-	174.980361	140.6
[M+CH3COO]-	188.996011	167.2
[M+Na-2H]-	150.956826	127.3
[M]+	129.98161142	123.1
[M]-	129.98270858	123.1

Literature stripe

literature stripe

Patent stripe

patents stripe