CID 2736155

35877-04-4

Structural Information

Molecular Formula

C₁₁H₅F₆NO

SMILES

C1=CC2=C(C=C1C(F)(F)F)C(=O)C=C(N2)C(F)(F)F

InChI

InChI=1S/C11H5F6NO/c12-10(13,14)5-1-2-7-6(3-5)8(19)4-9(18-7)11(15,16)17/h1-4H,(H,18,19)

InChIKey

AOGNHURBEDTPIZ-UHFFFAOYSA-N

Compound name

2,6-bis(trifluoromethyl)-1H-quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 33
Patents: 281.02753 Da
Monoisotopic Mass: 3.3
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]+	282.03481	154.3
[M+Na]+	304.01675	166.2
[M-H]-	280.02025	149.4
[M+NH4]+	299.06135	169.6
[M+K]+	319.99069	160.0
[M+H-H2O]+	264.02479	143.4
[M+HCOO]-	326.02573	165.8
[M+CH3COO]-	340.04138	195.9
[M+Na-2H]-	302.00220	159.7
[M]+	281.02698	145.8
[M]-	281.02808	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe