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

761
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

literature stripe

Patent stripe

patents stripe