CID 20097688

4-benzoyl-1h-indole

Structural Information

Molecular Formula

C₁₅H₁₁NO

SMILES

C1=CC=C(C=C1)C(=O)C2=C3C=CNC3=CC=C2

InChI

InChI=1S/C15H11NO/c17-15(11-5-2-1-3-6-11)13-7-4-8-14-12(13)9-10-16-14/h1-10,16H

InChIKey

UHUZJORSZJFKEL-UHFFFAOYSA-N

Compound name

1H-indol-4-yl(phenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 221.08406 Da
Monoisotopic Mass: 4.1
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]+	222.09134	147.5
[M+Na]+	244.07328	156.6
[M-H]-	220.07678	153.0
[M+NH4]+	239.11788	166.3
[M+K]+	260.04722	151.0
[M+H-H2O]+	204.08132	140.2
[M+HCOO]-	266.08226	170.2
[M+CH3COO]-	280.09791	160.5
[M+Na-2H]-	242.05873	154.0
[M]+	221.08351	147.1
[M]-	221.08461	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe