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: 1205
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]+	119.025816	119.6
[M+Na]+	141.007758	128.5
[M-H]-	117.011264	120.2
[M+NH4]+	136.052363	143.1
[M+K]+	156.981698	126.1
[M+H-H2O]+	101.015800	116.7
[M+HCOO]-	163.016741	138.9
[M+CH3COO]-	177.032391	169.1
[M+Na-2H]-	138.993206	125.8
[M]+	118.01799142	121.7
[M]-	118.01908858	121.7

Literature stripe

literature stripe

Patent stripe

patents stripe