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

1442
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 127.4
[M+Na]+ 150.99773 135.0
[M+NH4]+ 146.04233 132.7
[M+K]+ 166.97167 131.0
[M-H]- 127.00123 121.8
[M+Na-2H]- 148.98318 129.4
[M]+ 128.00796 126.5
[M]- 128.00906 126.5
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