CID 69646

Ethane, (trifluoromethoxy)-

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2230
Patents

114.02925 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.03653 115.1
[M+Na]+ 137.01847 124.2
[M-H]- 113.02197 112.1
[M+NH4]+ 132.06307 138.0
[M+K]+ 152.99241 124.5
[M+H-H2O]+ 97.026510 109.1
[M+HCOO]- 159.02745 135.4
[M+CH3COO]- 173.04310 168.2
[M+Na-2H]- 135.00392 122.8
[M]+ 114.02870 112.4
[M]- 114.02980 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.