CID 25324065

3-(trifluoromethyl)-7,8-dihydroquinolin-5(6h)-one

Structural Information

Molecular Formula
C10H8F3NO
SMILES
C1CC2=C(C=C(C=N2)C(F)(F)F)C(=O)C1
InChI
InChI=1S/C10H8F3NO/c11-10(12,13)6-4-7-8(14-5-6)2-1-3-9(7)15/h4-5H,1-3H2
InChIKey
PPBDRJRJPMFIMA-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)-7,8-dihydro-6H-quinolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.0558 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06308 147.3
[M+Na]+ 238.04502 157.1
[M+NH4]+ 233.08962 153.5
[M+K]+ 254.01896 151.3
[M-H]- 214.04852 144.5
[M+Na-2H]- 236.03047 151.0
[M]+ 215.05525 147.6
[M]- 215.05635 147.6
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

No patent data available for this compound.