CID 2775135

6-(trifluoromethyl)-4-quinolinol

Structural Information

Molecular Formula

C₁₀H₆F₃NO

SMILES

C1=CC2=C(C=C1C(F)(F)F)C(=O)C=CN2

InChI

InChI=1S/C10H6F3NO/c11-10(12,13)6-1-2-8-7(5-6)9(15)3-4-14-8/h1-5H,(H,14,15)

InChIKey

CEIVPELVRVTMJW-UHFFFAOYSA-N

Compound name

6-(trifluoromethyl)-1H-quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 155
Patents: 213.04015 Da
Monoisotopic Mass: 1.5
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]+	214.04743	139.4
[M+Na]+	236.02937	150.3
[M-H]-	212.03287	138.1
[M+NH4]+	231.07397	157.5
[M+K]+	252.00331	145.2
[M+H-H2O]+	196.03741	130.9
[M+HCOO]-	258.03835	156.3
[M+CH3COO]-	272.05400	183.2
[M+Na-2H]-	234.01482	147.3
[M]+	213.03960	134.6
[M]-	213.04070	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe