CID 141681

2,2,2-trifluoroethyl formate

Structural Information

Molecular Formula
C3H3F3O2
SMILES
C(C(F)(F)F)OC=O
InChI
InChI=1S/C3H3F3O2/c4-3(5,6)1-8-2-7/h2H,1H2
InChIKey
CAFROQYMUICGNO-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2220
Patents

128.00851 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.01579 116.5
[M+Na]+ 150.99773 125.9
[M-H]- 127.00123 113.5
[M+NH4]+ 146.04233 138.7
[M+K]+ 166.97167 126.0
[M+H-H2O]+ 111.00577 110.4
[M+HCOO]- 173.00671 137.3
[M+CH3COO]- 187.02236 169.1
[M+Na-2H]- 148.98318 124.3
[M]+ 128.00796 114.6
[M]- 128.00906 114.6
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.