CID 2782635

(2,2,2-trifluoroethyl)oxirane

Structural Information

Molecular Formula
C4H5F3O
SMILES
C1C(O1)CC(F)(F)F
InChI
InChI=1S/C4H5F3O/c5-4(6,7)1-3-2-8-3/h3H,1-2H2
InChIKey
KSAGWVJHDZAMEZ-UHFFFAOYSA-N
Compound name
2-(2,2,2-trifluoroethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

306
Patents

126.02925 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.03653 133.1
[M+Na]+ 149.01847 141.6
[M+NH4]+ 144.06307 139.4
[M+K]+ 164.99241 139.1
[M-H]- 125.02197 136.5
[M+Na-2H]- 147.00392 137.8
[M]+ 126.02870 135.9
[M]- 126.02980 135.9
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