CID 6446068

(e)-1-chloropent-1-en-3-one

Structural Information

Molecular Formula

SMILES

CCC(=O)/C=C/Cl

InChI

InChI=1S/C5H7ClO/c1-2-5(7)3-4-6/h3-4H,2H2,1H3/b4-3+

InChIKey

CFMFGANUEMXVTA-ONEGZZNKSA-N

Compound name

(E)-1-chloropent-1-en-3-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 9
Patents: 118.01854 Da
Monoisotopic Mass: 1.3
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	120.3
[M+Na]+	141.00776	132.1
[M+NH4]+	136.05236	128.9
[M+K]+	156.98170	125.8
[M-H]-	117.01126	119.8
[M+Na-2H]-	138.99321	124.9
[M]+	118.01799	121.9
[M]-	118.01909	121.9

Literature stripe

literature stripe

Patent stripe

patents stripe