CID 119521

2,2-dichlorooxirane

Structural Information

Molecular Formula
C2H2Cl2O
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

46
Patents

111.94827 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.955546 111.0
[M+Na]+ 134.937488 122.6
[M-H]- 110.940994 116.0
[M+NH4]+ 129.982093 130.4
[M+K]+ 150.911428 121.5
[M+H-H2O]+ 94.945530 108.3
[M+HCOO]- 156.946471 125.7
[M+CH3COO]- 170.962121 168.2
[M+Na-2H]- 132.922936 121.5
[M]+ 111.94772142 116.3
[M]- 111.94881858 116.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe