CID 84991

1,2,3,4-tetraphenyl-1,3-cyclopentadiene

Structural Information

Molecular Formula
C29H22
SMILES
C1C(=C(C(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C29H22/c1-5-13-22(14-6-1)26-21-27(23-15-7-2-8-16-23)29(25-19-11-4-12-20-25)28(26)24-17-9-3-10-18-24/h1-20H,21H2
InChIKey
JCXLYAWYOTYWKM-UHFFFAOYSA-N
Compound name
(2,3,4-triphenylcyclopenta-1,3-dien-1-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4785
Patents

370.17215 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.17943 193.2
[M+Na]+ 393.16137 199.8
[M-H]- 369.16487 208.3
[M+NH4]+ 388.20597 205.6
[M+K]+ 409.13531 190.9
[M+H-H2O]+ 353.16941 182.1
[M+HCOO]- 415.17035 216.4
[M+CH3COO]- 429.18600 203.5
[M+Na-2H]- 391.14682 194.4
[M]+ 370.17160 190.8
[M]- 370.17270 190.8
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