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

3487
Patents

112.013596 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.020872 110.6
[M+Na]+ 135.002814 121.3
[M-H]- 111.006320 112.7
[M+NH4]+ 130.047419 127.3
[M+K]+ 150.976754 121.5
[M+H-H2O]+ 95.010856 102.9
[M+HCOO]- 157.011797 130.3
[M+CH3COO]- 171.027447 170.4
[M+Na-2H]- 132.988262 120.0
[M]+ 112.01304742 109.9
[M]- 112.01414458 109.9
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