CID 16728027

Chembl225661

Structural Information

Molecular Formula

C₁₆H₁₂F₃NO

SMILES

CC1=CC(=C2C(=C1)C3=C(C=CC(=C3)C(F)(F)F)C(=O)N2)C

InChI

InChI=1S/C16H12F3NO/c1-8-5-9(2)14-13(6-8)12-7-10(16(17,18)19)3-4-11(12)15(21)20-14/h3-7H,1-2H3,(H,20,21)

InChIKey

DVPASIPZOXTJHQ-UHFFFAOYSA-N

Compound name

2,4-dimethyl-9-(trifluoromethyl)-5H-phenanthridin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 291.0871 Da
Monoisotopic Mass: 4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	292.094376	163.7
[M+Na]+	314.076318	176.9
[M-H]-	290.079824	164.0
[M+NH4]+	309.120923	180.3
[M+K]+	330.050258	169.6
[M+H-H2O]+	274.084360	154.2
[M+HCOO]-	336.085301	179.4
[M+CH3COO]-	350.100951	202.5
[M+Na-2H]-	312.061766	170.0
[M]+	291.08655142	162.4
[M]-	291.08764858	162.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.