CID 2775089

8-methyl-2-(trifluoromethyl)quinolin-4-ol

Structural Information

Molecular Formula
C11H8F3NO
SMILES
CC1=C2C(=CC=C1)C(=O)C=C(N2)C(F)(F)F
InChI
InChI=1S/C11H8F3NO/c1-6-3-2-4-7-8(16)5-9(11(12,13)14)15-10(6)7/h2-5H,1H3,(H,15,16)
InChIKey
HLPDICBGZTVELB-UHFFFAOYSA-N
Compound name
8-methyl-2-(trifluoromethyl)-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

19
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 149.0
[M+Na]+ 250.04502 160.2
[M+NH4]+ 245.08962 154.9
[M+K]+ 266.01896 154.3
[M-H]- 226.04852 146.1
[M+Na-2H]- 248.03047 153.4
[M]+ 227.05525 149.6
[M]- 227.05635 149.6
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