CID 16728029

Chembl387677

Structural Information

Molecular Formula
C15H10F3NO
SMILES
CC1=C2C(=CC=C1)C3=C(C=CC(=C3)C(F)(F)F)C(=O)N2
InChI
InChI=1S/C15H10F3NO/c1-8-3-2-4-10-12-7-9(15(16,17)18)5-6-11(12)14(20)19-13(8)10/h2-7H,1H3,(H,19,20)
InChIKey
WCCAYTFSJPXARC-UHFFFAOYSA-N
Compound name
4-methyl-9-(trifluoromethyl)-5H-phenanthridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.07144 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.07872 158.7
[M+Na]+ 300.06066 171.5
[M-H]- 276.06416 158.8
[M+NH4]+ 295.10526 175.6
[M+K]+ 316.03460 164.4
[M+H-H2O]+ 260.06870 149.2
[M+HCOO]- 322.06964 174.9
[M+CH3COO]- 336.08529 170.5
[M+Na-2H]- 298.04611 166.3
[M]+ 277.07089 156.7
[M]- 277.07199 156.7
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.