CID 68068

Tetraphenylcyclopentadienone

Structural Information

Molecular Formula
C29H20O
SMILES
C1=CC=C(C=C1)C2=C(C(=O)C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C29H20O/c30-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(29)24-19-11-4-12-20-24/h1-20H
InChIKey
PLGPSDNOLCVGSS-UHFFFAOYSA-N
Compound name
2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

1341
Patents

384.15143 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.15871 196.5
[M+Na]+ 407.14065 204.0
[M-H]- 383.14415 212.1
[M+NH4]+ 402.18525 208.4
[M+K]+ 423.11459 195.4
[M+H-H2O]+ 367.14869 185.3
[M+HCOO]- 429.14963 220.0
[M+CH3COO]- 443.16528 207.0
[M+Na-2H]- 405.12610 196.9
[M]+ 384.15088 195.1
[M]- 384.15198 195.1
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