CID 6068719

1-benzylideneindan

Structural Information

Molecular Formula

C₁₆H₁₄

SMILES

C1C/C(=C\C2=CC=CC=C2)/C3=CC=CC=C31

InChI

InChI=1S/C16H14/c1-2-6-13(7-3-1)12-15-11-10-14-8-4-5-9-16(14)15/h1-9,12H,10-11H2/b15-12+

InChIKey

QTWIKOMWVWPBRX-NTCAYCPXSA-N

Compound name

(3E)-3-benzylidene-1,2-dihydroindene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 206.10954 Da
Monoisotopic Mass: 4.1
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	147.4
[M+Na]+	229.09876	162.6
[M+NH4]+	224.14336	158.5
[M+K]+	245.07270	154.3
[M-H]-	205.10226	153.4
[M+Na-2H]-	227.08421	157.0
[M]+	206.10899	151.4
[M]-	206.11009	151.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.