CID 77637

Cyclopropanecarbonyl chloride

Structural Information

Molecular Formula

SMILES

C1CC1C(=O)Cl

InChI

InChI=1S/C4H5ClO/c5-4(6)3-1-2-3/h3H,1-2H2

InChIKey

ZOOSILUVXHVRJE-UHFFFAOYSA-N

Compound name

cyclopropanecarbonyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 20782
Patents: 104.00289 Da
Monoisotopic Mass: 1.2
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	114.6
[M+Na]+	126.99211	125.0
[M-H]-	102.99561	119.4
[M+NH4]+	122.03671	133.5
[M+K]+	142.96605	122.6
[M+H-H2O]+	87.000150	110.2
[M+HCOO]-	149.00109	134.4
[M+CH3COO]-	163.01674	169.4
[M+Na-2H]-	124.97756	121.8
[M]+	104.00234	118.0
[M]-	104.00344	118.0

Literature stripe

literature stripe

Patent stripe

patents stripe