CID 13698

2-phenylindole

Structural Information

Molecular Formula

C₁₄H₁₁N

SMILES

C1=CC=C(C=C1)C2=CC3=CC=CC=C3N2

InChI

InChI=1S/C14H11N/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14/h1-10,15H

InChIKey

KLLLJCACIRKBDT-UHFFFAOYSA-N

Compound name

2-phenyl-1H-indole

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 96
References: 6910
Patents: 193.08914 Da
Monoisotopic Mass: 3.8
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]+	194.09642	141.0
[M+Na]+	216.07836	157.5
[M+NH4]+	211.12296	151.6
[M+K]+	232.05230	150.0
[M-H]-	192.08186	146.3
[M+Na-2H]-	214.06381	151.9
[M]+	193.08859	145.1
[M]-	193.08969	145.1

Literature stripe

literature stripe

Patent stripe

patents stripe