CID 4131669

2-butyn-1-yl chloroformate

Structural Information

Molecular Formula

SMILES

CC#CCOC(=O)Cl

InChI

InChI=1S/C5H5ClO2/c1-2-3-4-8-5(6)7/h4H2,1H3

InChIKey

MFKKPMUEGDJJSL-UHFFFAOYSA-N

Compound name

but-2-ynyl carbonochloridate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 181
Patents: 131.9978 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]+	133.00508	120.4
[M+Na]+	154.98702	131.6
[M-H]-	130.99052	120.7
[M+NH4]+	150.03162	141.1
[M+K]+	170.96096	129.0
[M+H-H2O]+	114.99506	111.4
[M+HCOO]-	176.99600	134.9
[M+CH3COO]-	191.01165	178.4
[M+Na-2H]-	152.97247	126.2
[M]+	131.99725	118.5
[M]-	131.99835	118.5

Literature stripe

literature stripe

Patent stripe

patents stripe