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

593
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

literature stripe

Patent stripe

patents stripe