CID 520769

359-41-1

Structural Information

Molecular Formula
C3H3F3O
SMILES
C1C(O1)C(F)(F)F
InChI
InChI=1S/C3H3F3O/c4-3(5,6)2-1-7-2/h2H,1H2
InChIKey
AQZRARFZZMGLHL-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3090
Patents

112.013596 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.02087 129.4
[M+Na]+ 135.00281 138.1
[M+NH4]+ 130.04742 135.9
[M+K]+ 150.97675 135.9
[M-H]- 111.00632 132.9
[M+Na-2H]- 132.98826 134.4
[M]+ 112.01305 132.3
[M]- 112.01414 132.3
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