CID 182029

1-phenyl-1h-indole

Structural Information

Molecular Formula

C₁₄H₁₁N

SMILES

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

InChI

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

InChIKey

YBFCBQMICVOSRW-UHFFFAOYSA-N

Compound name

1-phenylindole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 1465
Patents: 193.08914 Da
Monoisotopic Mass: 4.4
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	140.4
[M+Na]+	216.07836	157.5
[M+NH4]+	211.12296	151.4
[M+K]+	232.05230	149.7
[M-H]-	192.08186	146.3
[M+Na-2H]-	214.06381	152.0
[M]+	193.08859	144.8
[M]-	193.08969	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe