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: 0
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]+	222.09134	146.4
[M+Na]+	244.07328	156.9
[M-H]-	220.07678	151.1
[M+NH4]+	239.11788	165.6
[M+K]+	260.04722	152.0
[M+H-H2O]+	204.08132	138.8
[M+HCOO]-	266.08226	168.1
[M+CH3COO]-	280.09791	159.9
[M+Na-2H]-	242.05873	156.2
[M]+	221.08351	148.6
[M]-	221.08461	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe