CID 44208259

1123762-24-2

Structural Information

Molecular Formula
C10H8F3NO
SMILES
C1CC(=O)NC2=C1C=CC(=C2)C(F)(F)F
InChI
InChI=1S/C10H8F3NO/c11-10(12,13)7-3-1-6-2-4-9(15)14-8(6)5-7/h1,3,5H,2,4H2,(H,14,15)
InChIKey
BXFVUNFYULIQLT-UHFFFAOYSA-N
Compound name
7-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

215.0558 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.063076 142.2
[M+Na]+ 238.045018 151.0
[M-H]- 214.048524 140.1
[M+NH4]+ 233.089623 160.0
[M+K]+ 254.018958 146.4
[M+H-H2O]+ 198.053060 133.7
[M+HCOO]- 260.054001 156.2
[M+CH3COO]- 274.069651 183.8
[M+Na-2H]- 236.030466 148.1
[M]+ 215.05525142 134.5
[M]- 215.05634858 134.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe