CID 135687105

4-hydroxy-3-(3-(trifluoromethyl)benzoyl)-2(1h)-quinolinone

Structural Information

Molecular Formula
C17H10F3NO3
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)N2)C(=O)C3=CC(=CC=C3)C(F)(F)F)O
InChI
InChI=1S/C17H10F3NO3/c18-17(19,20)10-5-3-4-9(8-10)14(22)13-15(23)11-6-1-2-7-12(11)21-16(13)24/h1-8H,(H2,21,23,24)
InChIKey
BWYABHZKIOSULK-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[3-(trifluoromethyl)benzoyl]-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

333.06128 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.06856 172.2
[M+Na]+ 356.05050 182.2
[M-H]- 332.05400 172.7
[M+NH4]+ 351.09510 184.2
[M+K]+ 372.02444 175.4
[M+H-H2O]+ 316.05854 161.8
[M+HCOO]- 378.05948 185.9
[M+CH3COO]- 392.07513 204.7
[M+Na-2H]- 354.03595 175.9
[M]+ 333.06073 167.8
[M]- 333.06183 167.8
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