CID 28167

Trichloroepoxyethane

Structural Information

Molecular Formula
C2HCl3O
SMILES
C1(C(O1)(Cl)Cl)Cl
InChI
InChI=1S/C2HCl3O/c3-1-2(4,5)6-1/h1H
InChIKey
CMMXCVYESRODNH-UHFFFAOYSA-N
Compound name
2,2,3-trichlorooxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

862
Patents

145.9093 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.91658 114.9
[M+Na]+ 168.89852 126.7
[M-H]- 144.90202 118.7
[M+NH4]+ 163.94312 133.0
[M+K]+ 184.87246 124.6
[M+H-H2O]+ 128.90656 113.0
[M+HCOO]- 190.90750 124.1
[M+CH3COO]- 204.92315 175.0
[M+Na-2H]- 166.88397 123.6
[M]+ 145.90875 120.0
[M]- 145.90985 120.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.