CID 83478763

5-chloro-3-furancarboxaldehyde

Structural Information

Molecular Formula

SMILES

C1=C(OC=C1C=O)Cl

InChI

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

InChIKey

CIVLRBXEVIZMEM-UHFFFAOYSA-N

Compound name

5-chlorofuran-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 129.98216 Da
Monoisotopic Mass: 1.4
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	118.9
[M+Na]+	152.971378	129.9
[M-H]-	128.974884	123.8
[M+NH4]+	148.015983	142.5
[M+K]+	168.945318	128.5
[M+H-H2O]+	112.979420	115.3
[M+HCOO]-	174.980361	140.5
[M+CH3COO]-	188.996011	167.4
[M+Na-2H]-	150.956826	126.8
[M]+	129.98161142	123.0
[M]-	129.98270858	123.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe