CID 2776755

2,2,3,3-tetrafluoropropyl trifluoroacetate

Structural Information

Molecular Formula
C5H3F7O2
SMILES
C(C(C(F)F)(F)F)OC(=O)C(F)(F)F
InChI
InChI=1S/C5H3F7O2/c6-2(7)4(8,9)1-14-3(13)5(10,11)12/h2H,1H2
InChIKey
QWXXHRSQCJGYQR-UHFFFAOYSA-N
Compound name
2,2,3,3-tetrafluoropropyl 2,2,2-trifluoroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

272
Patents

228.00212 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.009396 136.0
[M+Na]+ 250.991338 144.8
[M-H]- 226.994844 127.8
[M+NH4]+ 246.035943 153.6
[M+K]+ 266.965278 143.9
[M+H-H2O]+ 210.999380 126.3
[M+HCOO]- 273.000321 148.3
[M+CH3COO]- 287.015971 188.4
[M+Na-2H]- 248.976786 138.6
[M]+ 228.00157142 127.4
[M]- 228.00266858 127.4
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

patents stripe