CID 423586

1,1,3-triphenylindene

Structural Information

Molecular Formula
C27H20
SMILES
C1=CC=C(C=C1)C2=CC(C3=CC=CC=C32)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C27H20/c1-4-12-21(13-5-1)25-20-27(22-14-6-2-7-15-22,23-16-8-3-9-17-23)26-19-11-10-18-24(25)26/h1-20H
InChIKey
HPSBBDGPOWEYOI-UHFFFAOYSA-N
Compound name
1,1,3-triphenylindene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

344.1565 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.16378 187.4
[M+Na]+ 367.14572 195.3
[M-H]- 343.14922 200.8
[M+NH4]+ 362.19032 204.1
[M+K]+ 383.11966 186.7
[M+H-H2O]+ 327.15376 176.6
[M+HCOO]- 389.15470 210.1
[M+CH3COO]- 403.17035 198.4
[M+Na-2H]- 365.13117 191.6
[M]+ 344.15595 185.6
[M]- 344.15705 185.6
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