CID 614890

140908-88-9

Structural Information

Molecular Formula
C11H8F3NO
SMILES
CC1=CC(=O)C2=C(N1)C(=CC=C2)C(F)(F)F
InChI
InChI=1S/C11H8F3NO/c1-6-5-9(16)7-3-2-4-8(10(7)15-6)11(12,13)14/h2-5H,1H3,(H,15,16)
InChIKey
OTMHQQLVOKHQTM-UHFFFAOYSA-N
Compound name
2-methyl-8-(trifluoromethyl)-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

227.0558 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.063076 144.1
[M+Na]+ 250.045018 155.5
[M-H]- 226.048524 143.0
[M+NH4]+ 245.089623 162.0
[M+K]+ 266.018958 150.2
[M+H-H2O]+ 210.053060 135.7
[M+HCOO]- 272.054001 160.6
[M+CH3COO]- 286.069651 187.4
[M+Na-2H]- 248.030466 150.7
[M]+ 227.05525142 140.1
[M]- 227.05634858 140.1
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

patents stripe