CID 7147405

1147383-19-4

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]+ 283.068876 158.5
[M+Na]+ 305.050818 166.5
[M-H]- 281.054324 157.7
[M+NH4]+ 300.095423 172.3
[M+K]+ 321.024758 161.9
[M+H-H2O]+ 265.058860 148.2
[M+HCOO]- 327.059801 173.9
[M+CH3COO]- 341.075451 194.1
[M+Na-2H]- 303.036266 160.2
[M]+ 282.06105142 153.8
[M]- 282.06214858 153.8
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.