CID 207818

Quinoline, 1,2-dihydro-1-trifluoroacetyl-

Structural Information

Molecular Formula
C11H8F3NO
SMILES
C1C=CC2=CC=CC=C2N1C(=O)C(F)(F)F
InChI
InChI=1S/C11H8F3NO/c12-11(13,14)10(16)15-7-3-5-8-4-1-2-6-9(8)15/h1-6H,7H2
InChIKey
BWLZUZVCVOPRLI-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(2H-quinolin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.0558 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.063076 145.0
[M+Na]+ 250.045018 153.7
[M-H]- 226.048524 144.2
[M+NH4]+ 245.089623 162.8
[M+K]+ 266.018958 149.9
[M+H-H2O]+ 210.053060 135.9
[M+HCOO]- 272.054001 160.7
[M+CH3COO]- 286.069651 188.1
[M+Na-2H]- 248.030466 151.3
[M]+ 227.05525142 139.9
[M]- 227.05634858 139.9
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.