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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.09438 163.7
[M+Na]+ 314.07632 176.9
[M-H]- 290.07982 164.0
[M+NH4]+ 309.12092 180.3
[M+K]+ 330.05026 169.6
[M+H-H2O]+ 274.08436 154.2
[M+HCOO]- 336.08530 179.4
[M+CH3COO]- 350.10095 202.5
[M+Na-2H]- 312.06177 170.0
[M]+ 291.08655 162.4
[M]- 291.08765 162.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.