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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.116816 146.1
[M+Na]+ 229.098758 153.6
[M-H]- 205.102264 153.5
[M+NH4]+ 224.143363 167.7
[M+K]+ 245.072698 148.2
[M+H-H2O]+ 189.106800 139.4
[M+HCOO]- 251.107741 169.3
[M+CH3COO]- 265.123391 159.4
[M+Na-2H]- 227.084206 151.6
[M]+ 206.10899142 143.5
[M]- 206.11008858 143.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.