CID 4228493

4-pentenoyl chloride

Structural Information

Molecular Formula

SMILES

C=CCCC(=O)Cl

InChI

InChI=1S/C5H7ClO/c1-2-3-4-5(6)7/h2H,1,3-4H2

InChIKey

JDKQTIKEGOOXTJ-UHFFFAOYSA-N

Compound name

pent-4-enoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1137
Patents: 118.01854 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]+	119.02582	120.1
[M+Na]+	141.00776	132.0
[M+NH4]+	136.05236	128.7
[M+K]+	156.98170	125.7
[M-H]-	117.01126	119.7
[M+Na-2H]-	138.99321	124.8
[M]+	118.01799	121.8
[M]-	118.01909	121.8

Literature stripe

literature stripe

Patent stripe

patents stripe