CID 565684

Sodium 1,1,1-trifluoro-4-furan-2-yl-4-oxo-but-2-en-2-olate

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

0
Patents

206.01907 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.02635 137.0
[M+Na]+ 229.00829 145.0
[M-H]- 205.01179 136.2
[M+NH4]+ 224.05289 155.4
[M+K]+ 244.98223 144.0
[M+H-H2O]+ 189.01633 130.0
[M+HCOO]- 251.01727 154.6
[M+CH3COO]- 265.03292 178.9
[M+Na-2H]- 226.99374 140.7
[M]+ 206.01852 133.4
[M]- 206.01962 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

No patent data available for this compound.