CID 2736611

18706-22-4

Structural Information

Molecular Formula

C₁₀H₅ClF₃NO

SMILES

C1=CC2=C(C(=C1)Cl)NC(=CC2=O)C(F)(F)F

InChI

InChI=1S/C10H5ClF3NO/c11-6-3-1-2-5-7(16)4-8(10(12,13)14)15-9(5)6/h1-4H,(H,15,16)

InChIKey

SBVZSZNYPRWWNN-UHFFFAOYSA-N

Compound name

8-chloro-2-(trifluoromethyl)-1H-quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 247.00117 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	248.00845	144.1
[M+Na]+	269.99039	156.7
[M-H]-	245.99389	142.9
[M+NH4]+	265.03499	162.0
[M+K]+	285.96433	149.9
[M+H-H2O]+	229.99843	136.5
[M+HCOO]-	291.99937	156.5
[M+CH3COO]-	306.01502	188.2
[M+Na-2H]-	267.97584	151.0
[M]+	247.00062	141.9
[M]-	247.00172	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe