CID 565684

1173466-55-1

Structural Information

Molecular Formula
C8H5F3O3
SMILES
C1=COC(=C1)C(=CC(=O)C(F)(F)F)O
InChI
InChI=1S/C8H5F3O3/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-4,12H
InChIKey
WQDUVJNCNPBHFK-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-4-(furan-2-yl)-4-hydroxybut-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

206.01907 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.026346 137.0
[M+Na]+ 229.008288 145.0
[M-H]- 205.011794 136.2
[M+NH4]+ 224.052893 155.4
[M+K]+ 244.982228 144.0
[M+H-H2O]+ 189.016330 130.0
[M+HCOO]- 251.017271 154.6
[M+CH3COO]- 265.032921 178.9
[M+Na-2H]- 226.993736 140.7
[M]+ 206.01852142 133.4
[M]- 206.01961858 133.4
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