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
2
Annotation Hits

13
References

863
Patents

145.9093 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.916576 114.9
[M+Na]+ 168.898518 126.7
[M-H]- 144.902024 118.7
[M+NH4]+ 163.943123 133.0
[M+K]+ 184.872458 124.6
[M+H-H2O]+ 128.906560 113.0
[M+HCOO]- 190.907501 124.1
[M+CH3COO]- 204.923151 175.0
[M+Na-2H]- 166.883966 123.6
[M]+ 145.90875142 120.0
[M]- 145.90984858 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