CID 119521

2,2-dichlorooxirane

Structural Information

Molecular Formula

SMILES

C1C(O1)(Cl)Cl

InChI

InChI=1S/C2H2Cl2O/c3-2(4)1-5-2/h1H2

InChIKey

DPVAHOUXGQHEOI-UHFFFAOYSA-N

Compound name

2,2-dichlorooxirane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 32
Patents: 111.94827 Da
Monoisotopic Mass: 1.1
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]+	112.95555	113.2
[M+Na]+	134.93749	128.2
[M+NH4]+	129.98209	125.0
[M+K]+	150.91143	121.9
[M-H]-	110.94099	122.7
[M+Na-2H]-	132.92294	123.9
[M]+	111.94772	119.9
[M]-	111.94882	119.9

Literature stripe

literature stripe

Patent stripe

patents stripe