CID 72083863

2-(4-methoxybenzoyl)-3-(2-(trifluoromethyl)phenyl)prop-2-enenitrile

Structural Information

Molecular Formula
C18H12F3NO2
SMILES
COC1=CC=C(C=C1)C(=O)C(=CC2=CC=CC=C2C(F)(F)F)C#N
InChI
InChI=1S/C18H12F3NO2/c1-24-15-8-6-12(7-9-15)17(23)14(11-22)10-13-4-2-3-5-16(13)18(19,20)21/h2-10H,1H3
InChIKey
YDBYOONDGHMOCO-UHFFFAOYSA-N
Compound name
2-(4-methoxybenzoyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.082 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.08928 179.2
[M+Na]+ 354.07122 189.3
[M+NH4]+ 349.11582 180.6
[M+K]+ 370.04516 179.6
[M-H]- 330.07472 170.3
[M+Na-2H]- 352.05667 181.2
[M]+ 331.08145 177.2
[M]- 331.08255 177.2
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.