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 153.7
[M+Na]+ 278.07632 164.1
[M-H]- 254.07982 152.1
[M+NH4]+ 273.12092 170.3
[M+K]+ 294.05026 158.4
[M+H-H2O]+ 238.08436 144.7
[M+HCOO]- 300.08530 169.5
[M+CH3COO]- 314.10095 193.5
[M+Na-2H]- 276.06177 159.2
[M]+ 255.08655 150.3
[M]- 255.08765 150.3
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.