CID 3438626

28707-42-8

Structural Information

Molecular Formula

C₁₅H₁₁NO

SMILES

CC(=O)C1=CC2=C(C=CC3=CC=CC=C32)N=C1

InChI

InChI=1S/C15H11NO/c1-10(17)12-8-14-13-5-3-2-4-11(13)6-7-15(14)16-9-12/h2-9H,1H3

InChIKey

DAHZLHKTRJVJPP-UHFFFAOYSA-N

Compound name

1-benzo[f]quinolin-2-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 221.08406 Da
Monoisotopic Mass: 3.0
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]+	222.091336	146.4
[M+Na]+	244.073278	156.9
[M-H]-	220.076784	151.1
[M+NH4]+	239.117883	165.6
[M+K]+	260.047218	152.0
[M+H-H2O]+	204.081320	138.8
[M+HCOO]-	266.082261	168.1
[M+CH3COO]-	280.097911	159.9
[M+Na-2H]-	242.058726	156.2
[M]+	221.08351142	148.6
[M]-	221.08460858	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe