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]+ 283.06888 158.5
[M+Na]+ 305.05082 166.5
[M-H]- 281.05432 157.7
[M+NH4]+ 300.09542 172.3
[M+K]+ 321.02476 161.9
[M+H-H2O]+ 265.05886 148.2
[M+HCOO]- 327.05980 173.9
[M+CH3COO]- 341.07545 194.1
[M+Na-2H]- 303.03627 160.2
[M]+ 282.06105 153.8
[M]- 282.06215 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.