CID 7147405

Sodium 1,1,1-trifluoro-4-[4-(1h-imidazol-1-yl)phenyl]-4-oxobut-2-en-2-olate

Structural Information

Molecular Formula
C13H9F3N2O2
SMILES
C1=CC(=CC=C1C(=CC(=O)C(F)(F)F)O)N2C=CN=C2
InChI
InChI=1S/C13H9F3N2O2/c14-13(15,16)12(20)7-11(19)9-1-3-10(4-2-9)18-6-5-17-8-18/h1-8,19H
InChIKey
FBCSXMUBUPAOND-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-4-hydroxy-4-(4-imidazol-1-ylphenyl)but-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.0616 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.06888 163.4
[M+Na]+ 305.05082 171.2
[M+NH4]+ 300.09542 166.8
[M+K]+ 321.02476 169.0
[M-H]- 281.05432 159.1
[M+Na-2H]- 303.03627 166.9
[M]+ 282.06105 162.8
[M]- 282.06215 162.8
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.