CID 200283

1496-76-0

Structural Information

Molecular Formula

C₁₅H₁₁NO

SMILES

C1=CC=C(C=C1)C(=O)N2C=CC3=CC=CC=C32

InChI

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

InChIKey

DIQDUFVJZPNLJQ-UHFFFAOYSA-N

Compound name

indol-1-yl(phenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 14
References: 316
Patents: 221.08406 Da
Monoisotopic Mass: 3.5
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]+	222.091336	147.6
[M+Na]+	244.073278	157.2
[M-H]-	220.076784	154.5
[M+NH4]+	239.117883	167.2
[M+K]+	260.047218	152.5
[M+H-H2O]+	204.081320	139.9
[M+HCOO]-	266.082261	171.8
[M+CH3COO]-	280.097911	161.3
[M+Na-2H]-	242.058726	154.5
[M]+	221.08351142	148.9
[M]-	221.08460858	148.9

Literature stripe

literature stripe

Patent stripe

patents stripe