CID 18321

2-(trichloromethyl)oxirane

Structural Information

Molecular Formula
C3H3Cl3O
SMILES
C1C(O1)C(Cl)(Cl)Cl
InChI
InChI=1S/C3H3Cl3O/c4-3(5,6)2-1-7-2/h2H,1H2
InChIKey
VFEXYZINKMLLAK-UHFFFAOYSA-N
Compound name
2-(trichloromethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

64
References

799
Patents

159.92494 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.93222 121.3
[M+Na]+ 182.91416 131.8
[M-H]- 158.91766 124.7
[M+NH4]+ 177.95876 137.1
[M+K]+ 198.88810 129.0
[M+H-H2O]+ 142.92220 118.1
[M+HCOO]- 204.92314 129.1
[M+CH3COO]- 218.93879 176.8
[M+Na-2H]- 180.89961 129.5
[M]+ 159.92439 125.7
[M]- 159.92549 125.7
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.