CID 136304

2,2,2-trifluoroethyl methyl ether

Structural Information

Molecular Formula
C3H5F3O
SMILES
COCC(F)(F)F
InChI
InChI=1S/C3H5F3O/c1-7-2-3(4,5)6/h2H2,1H3
InChIKey
OHLVGBXMHDWRRX-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-2-methoxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2659
Patents

114.02925 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.036526 115.1
[M+Na]+ 137.018468 124.2
[M-H]- 113.021974 112.1
[M+NH4]+ 132.063073 138.0
[M+K]+ 152.992408 124.5
[M+H-H2O]+ 97.026510 109.1
[M+HCOO]- 159.027451 135.4
[M+CH3COO]- 173.043101 168.2
[M+Na-2H]- 135.003916 122.8
[M]+ 114.02870142 112.4
[M]- 114.02979858 112.4
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