CID 3402343

3h,3'h-(1,1')biindenyl

Structural Information

Molecular Formula

C₁₈H₁₄

SMILES

C1C=C(C2=CC=CC=C21)C3=CCC4=CC=CC=C43

InChI

InChI=1S/C18H14/c1-3-7-15-13(5-1)9-11-17(15)18-12-10-14-6-2-4-8-16(14)18/h1-8,11-12H,9-10H2

InChIKey

WUCGLJIGGDJNCY-UHFFFAOYSA-N

Compound name

3-(3H-inden-1-yl)-1H-indene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 230.10954 Da
Monoisotopic Mass: 4.2
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]+	231.11682	152.4
[M+Na]+	253.09876	162.0
[M-H]-	229.10226	161.7
[M+NH4]+	248.14336	176.0
[M+K]+	269.07270	156.0
[M+H-H2O]+	213.10680	146.3
[M+HCOO]-	275.10774	176.7
[M+CH3COO]-	289.12339	166.4
[M+Na-2H]-	251.08421	156.9
[M]+	230.10899	152.8
[M]-	230.11009	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe