CID 2759284

Hex-5-ynoyl chloride

Structural Information

Molecular Formula

SMILES

C#CCCCC(=O)Cl

InChI

InChI=1S/C6H7ClO/c1-2-3-4-5-6(7)8/h1H,3-5H2

InChIKey

WZBQFNAWQPYQPM-UHFFFAOYSA-N

Compound name

hex-5-ynoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 102
Patents: 130.01854 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]+	131.02582	121.9
[M+Na]+	153.00776	132.6
[M-H]-	129.01126	121.9
[M+NH4]+	148.05236	142.6
[M+K]+	168.98170	129.2
[M+H-H2O]+	113.01580	112.9
[M+HCOO]-	175.01674	135.8
[M+CH3COO]-	189.03239	180.6
[M+Na-2H]-	150.99321	127.2
[M]+	130.01799	119.1
[M]-	130.01909	119.1

Literature stripe

literature stripe

Patent stripe

patents stripe