CID 15334258

2,3,5,6-tetrafluorophenyl trifluoroacetate

Structural Information

Molecular Formula
C8HF7O2
SMILES
C1=C(C(=C(C(=C1F)F)OC(=O)C(F)(F)F)F)F
InChI
InChI=1S/C8HF7O2/c9-2-1-3(10)5(12)6(4(2)11)17-7(16)8(13,14)15/h1H
InChIKey
OJLSSULCTKBVOB-UHFFFAOYSA-N
Compound name
(2,3,5,6-tetrafluorophenyl) 2,2,2-trifluoroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

383
Patents

261.98648 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.99376 142.2
[M+Na]+ 284.97570 154.6
[M-H]- 260.97920 138.2
[M+NH4]+ 280.02030 159.4
[M+K]+ 300.94964 151.3
[M+H-H2O]+ 244.98374 131.4
[M+HCOO]- 306.98468 157.5
[M+CH3COO]- 321.00033 196.0
[M+Na-2H]- 282.96115 143.5
[M]+ 261.98593 135.3
[M]- 261.98703 135.3
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