CID 25324065

944901-18-2

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]+ 216.063076 141.8
[M+Na]+ 238.045018 151.0
[M-H]- 214.048524 141.1
[M+NH4]+ 233.089623 160.3
[M+K]+ 254.018958 147.3
[M+H-H2O]+ 198.053060 133.0
[M+HCOO]- 260.054001 157.3
[M+CH3COO]- 274.069651 186.4
[M+Na-2H]- 236.030466 148.1
[M]+ 215.05525142 136.0
[M]- 215.05634858 136.0
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.