CID 79080

2-butenoyl chloride

Structural Information

Molecular Formula

SMILES

CC=CC(=O)Cl

InChI

InChI=1S/C4H5ClO/c1-2-3-4(5)6/h2-3H,1H3

InChIKey

RJUIDDKTATZJFE-UHFFFAOYSA-N

Compound name

but-2-enoyl chloride

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 4915
Patents: 104.00289 Da
Monoisotopic Mass: 1.6
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]+	105.01017	115.1
[M+Na]+	126.99211	124.4
[M-H]-	102.99561	115.8
[M+NH4]+	122.03671	139.2
[M+K]+	142.96605	122.3
[M+H-H2O]+	87.000150	112.4
[M+HCOO]-	149.00109	134.7
[M+CH3COO]-	163.01674	165.4
[M+Na-2H]-	124.97756	121.8
[M]+	104.00234	116.7
[M]-	104.00344	116.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.