CID 88593725

2-fluoro-2-(trifluoromethyl)oxirane

Structural Information

Molecular Formula
C3H2F4O
SMILES
C1C(O1)(C(F)(F)F)F
InChI
InChI=1S/C3H2F4O/c4-2(1-8-2)3(5,6)7/h1H2
InChIKey
DHGQMHOMRCABJL-UHFFFAOYSA-N
Compound name
2-fluoro-2-(trifluoromethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

38
Patents

130.00418 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.011456 112.1
[M+Na]+ 152.993398 123.5
[M-H]- 128.996904 113.3
[M+NH4]+ 148.038003 129.9
[M+K]+ 168.967338 124.1
[M+H-H2O]+ 113.001440 104.8
[M+HCOO]- 175.002381 130.5
[M+CH3COO]- 189.018031 172.8
[M+Na-2H]- 150.978846 122.2
[M]+ 130.00363142 110.6
[M]- 130.00472858 110.6
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