CID 11074559

159531-97-2

Structural Information

Molecular Formula

C₁₆H₁₄

SMILES

CC1=CC2=C(C1)C=CC=C2C3=CC=CC=C3

InChI

InChI=1S/C16H14/c1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13/h2-9,11H,10H2,1H3

InChIKey

ASGNRCDZSRNHOP-UHFFFAOYSA-N

Compound name

2-methyl-4-phenyl-1H-indene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2788
Patents: 206.10954 Da
Monoisotopic Mass: 4.3
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]+	207.116816	145.2
[M+Na]+	229.098758	154.4
[M-H]-	205.102264	153.3
[M+NH4]+	224.143363	167.2
[M+K]+	245.072698	149.4
[M+H-H2O]+	189.106800	138.7
[M+HCOO]-	251.107741	169.7
[M+CH3COO]-	265.123391	159.4
[M+Na-2H]-	227.084206	151.2
[M]+	206.10899142	145.3
[M]-	206.11008858	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe