CID 4292402

2-methyl-7-phenyl-1h-indene

Structural Information

Molecular Formula

C₁₆H₁₄

SMILES

CC1=CC2=C(C1)C(=CC=C2)C3=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/h2-10H,11H2,1H3

InChIKey

JQCCMEDYANGBOG-UHFFFAOYSA-N

Compound name

2-methyl-7-phenyl-1H-indene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1065
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]+	207.11682	145.9
[M+Na]+	229.09876	162.3
[M+NH4]+	224.14336	157.4
[M+K]+	245.07270	154.2
[M-H]-	205.10226	152.4
[M+Na-2H]-	227.08421	156.3
[M]+	206.10899	150.4
[M]-	206.11009	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe