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]+ 207.11682 146.1
[M+Na]+ 229.09876 153.6
[M-H]- 205.10226 153.5
[M+NH4]+ 224.14336 167.7
[M+K]+ 245.07270 148.2
[M+H-H2O]+ 189.10680 139.4
[M+HCOO]- 251.10774 169.3
[M+CH3COO]- 265.12339 159.4
[M+Na-2H]- 227.08421 151.6
[M]+ 206.10899 143.5
[M]- 206.11009 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.