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]+ 228.06308 145.0
[M+Na]+ 250.04502 153.7
[M-H]- 226.04852 144.2
[M+NH4]+ 245.08962 162.8
[M+K]+ 266.01896 149.9
[M+H-H2O]+ 210.05306 135.9
[M+HCOO]- 272.05400 160.7
[M+CH3COO]- 286.06965 188.1
[M+Na-2H]- 248.03047 151.3
[M]+ 227.05525 139.9
[M]- 227.05635 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.