CID 5354120

1h-indene, 1-(phenylmethylene)-

Structural Information

Molecular Formula
C16H12
SMILES
C1=CC=C(C=C1)/C=C/2\C=CC3=CC=CC=C32
InChI
InChI=1S/C16H12/c1-2-6-13(7-3-1)12-15-11-10-14-8-4-5-9-16(14)15/h1-12H/b15-12+
InChIKey
SJWIOZSGMUJDFJ-NTCAYCPXSA-N
Compound name
(1E)-1-benzylideneindene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

204.0939 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.101176 144.7
[M+Na]+ 227.083118 153.3
[M-H]- 203.086624 152.5
[M+NH4]+ 222.127723 166.4
[M+K]+ 243.057058 147.7
[M+H-H2O]+ 187.091160 138.1
[M+HCOO]- 249.092101 169.4
[M+CH3COO]- 263.107751 158.6
[M+Na-2H]- 225.068566 151.3
[M]+ 204.09335142 143.6
[M]- 204.09444858 143.6
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

patents stripe