CID 202775

4-chloro-2-butyn-1-ol

Structural Information

Molecular Formula

SMILES

C(C#CCCl)O

InChI

InChI=1S/C4H5ClO/c5-3-1-2-4-6/h6H,3-4H2

InChIKey

RPUJAOFSZSEVPC-UHFFFAOYSA-N

Compound name

4-chlorobut-2-yn-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 558
Patents: 104.00289 Da
Monoisotopic Mass: 0.7
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	113.5
[M+Na]+	126.99211	125.2
[M+NH4]+	122.03671	118.9
[M+K]+	142.96605	116.5
[M-H]-	102.99561	105.6
[M+Na-2H]-	124.97756	116.1
[M]+	104.00234	112.3
[M]-	104.00344	112.3

Literature stripe

literature stripe

Patent stripe

patents stripe