CID 2775088

1701-20-8

Structural Information

Molecular Formula
C11H8F3NO
SMILES
CC1=CC2=C(C=C1)NC(=CC2=O)C(F)(F)F
InChI
InChI=1S/C11H8F3NO/c1-6-2-3-8-7(4-6)9(16)5-10(15-8)11(12,13)14/h2-5H,1H3,(H,15,16)
InChIKey
UNVMZLUVACVTDT-UHFFFAOYSA-N
Compound name
6-methyl-2-(trifluoromethyl)-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

8
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