CID 635023

Dtxsid60746179

Structural Information

Molecular Formula
C35H26
SMILES
C1=CC=C(C=C1)C2C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C35H26/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28/h1-25,31H
InChIKey
YGLVWOUNCXBPJF-UHFFFAOYSA-N
Compound name
(2,3,4,5-tetraphenylcyclopenta-1,4-dien-1-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2918
Patents

446.20346 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.21074 215.6
[M+Na]+ 469.19268 221.3
[M-H]- 445.19618 232.7
[M+NH4]+ 464.23728 224.1
[M+K]+ 485.16662 211.1
[M+H-H2O]+ 429.20072 202.5
[M+HCOO]- 491.20166 237.1
[M+CH3COO]- 505.21731 223.9
[M+Na-2H]- 467.17813 214.5
[M]+ 446.20291 212.3
[M]- 446.20401 212.3
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