CID 17039627

2-methyl-6-trifluoromethyl-4-quinolinol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
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

No literature data available for this compound.

Patent stripe

patents stripe