CID 165126

2-(1,2-dichloroethyl)oxirane

Structural Information

Molecular Formula
C4H6Cl2O
SMILES
C1C(O1)C(CCl)Cl
InChI
InChI=1S/C4H6Cl2O/c5-1-3(6)4-2-7-4/h3-4H,1-2H2
InChIKey
UKXROSORAUTSSH-UHFFFAOYSA-N
Compound name
2-(1,2-dichloroethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

285
Patents

139.97957 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.98685 120.5
[M+Na]+ 162.96879 134.6
[M+NH4]+ 158.01339 130.5
[M+K]+ 178.94273 130.1
[M-H]- 138.97229 129.5
[M+Na-2H]- 160.95424 128.9
[M]+ 139.97902 126.6
[M]- 139.98012 126.6
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