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

2
Patents

227.0558 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.06308 144.1
[M+Na]+ 250.04502 155.5
[M-H]- 226.04852 143.0
[M+NH4]+ 245.08962 162.0
[M+K]+ 266.01896 150.2
[M+H-H2O]+ 210.05306 135.7
[M+HCOO]- 272.05400 160.6
[M+CH3COO]- 286.06965 187.4
[M+Na-2H]- 248.03047 150.7
[M]+ 227.05525 140.1
[M]- 227.05635 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