CID 165126

3491-32-5

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 119.8
[M+Na]+ 162.96879 129.9
[M-H]- 138.97229 124.2
[M+NH4]+ 158.01339 136.4
[M+K]+ 178.94273 127.7
[M+H-H2O]+ 122.97683 115.6
[M+HCOO]- 184.97777 133.3
[M+CH3COO]- 198.99342 175.0
[M+Na-2H]- 160.95424 127.2
[M]+ 139.97902 125.0
[M]- 139.98012 125.0
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