CID 17750648

927800-87-1

Structural Information

Molecular Formula
C13H12F3NO
SMILES
CCCC1=CC(=O)C2=C(N1)C=CC(=C2)C(F)(F)F
InChI
InChI=1S/C13H12F3NO/c1-2-3-9-7-12(18)10-6-8(13(14,15)16)4-5-11(10)17-9/h4-7H,2-3H2,1H3,(H,17,18)
InChIKey
KNKABTRIBATKEM-UHFFFAOYSA-N
Compound name
2-propyl-6-(trifluoromethyl)-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.0871 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.09438 157.6
[M+Na]+ 278.07632 168.3
[M+NH4]+ 273.12092 163.1
[M+K]+ 294.05026 162.0
[M-H]- 254.07982 154.6
[M+Na-2H]- 276.06177 161.4
[M]+ 255.08655 158.1
[M]- 255.08765 158.1
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

No patent data available for this compound.