CID 2782938

476472-22-7

Structural Information

Molecular Formula
C18H12F3NO
SMILES
C1=CC=C2C(=C1)C(=CC=N2)CC(=O)C3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C18H12F3NO/c19-18(20,21)14-7-5-12(6-8-14)17(23)11-13-9-10-22-16-4-2-1-3-15(13)16/h1-10H,11H2
InChIKey
OSEATGPRADZRND-UHFFFAOYSA-N
Compound name
2-quinolin-4-yl-1-[4-(trifluoromethyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

315.0871 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.09438 170.9
[M+Na]+ 338.07632 179.6
[M-H]- 314.07982 173.1
[M+NH4]+ 333.12092 184.6
[M+K]+ 354.05026 173.2
[M+H-H2O]+ 298.08436 159.5
[M+HCOO]- 360.08530 186.8
[M+CH3COO]- 374.10095 206.4
[M+Na-2H]- 336.06177 176.0
[M]+ 315.08655 167.5
[M]- 315.08765 167.5
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

patents stripe