CID 13620760

2-methyl-2-(trifluoromethyl)oxirane

Structural Information

Molecular Formula
C4H5F3O
SMILES
CC1(CO1)C(F)(F)F
InChI
InChI=1S/C4H5F3O/c1-3(2-8-3)4(5,6)7/h2H2,1H3
InChIKey
GHTAXYFAHGPYPG-UHFFFAOYSA-N
Compound name
2-methyl-2-(trifluoromethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

126.02925 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.036526 115.1
[M+Na]+ 149.018468 126.1
[M-H]- 125.021974 117.5
[M+NH4]+ 144.063073 133.2
[M+K]+ 164.992408 127.0
[M+H-H2O]+ 109.026510 108.6
[M+HCOO]- 171.027451 134.2
[M+CH3COO]- 185.043101 172.9
[M+Na-2H]- 147.003916 125.1
[M]+ 126.02870142 115.1
[M]- 126.02979858 115.1
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