CID 18322

Trichlorobutylene oxide

Structural Information

Molecular Formula

SMILES

C1C(O1)CC(Cl)(Cl)Cl

InChI

InChI=1S/C4H5Cl3O/c5-4(6,7)1-3-2-8-3/h3H,1-2H2

InChIKey

CYYDNXCYDWWSPS-UHFFFAOYSA-N

Compound name

2-(2,2,2-trichloroethyl)oxirane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 874
Patents: 173.9406 Da
Monoisotopic Mass: 2.1
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]+	174.947876	125.6
[M+Na]+	196.929818	135.8
[M-H]-	172.933324	128.8
[M+NH4]+	191.974423	140.9
[M+K]+	212.903758	132.7
[M+H-H2O]+	156.937860	122.2
[M+HCOO]-	218.938801	133.1
[M+CH3COO]-	232.954451	179.5
[M+Na-2H]-	194.915266	133.3
[M]+	173.94005142	130.4
[M]-	173.94114858	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe