CID 11201250

6,13-diphenylpentacene

Structural Information

Molecular Formula
C34H22
SMILES
C1=CC=C(C=C1)C2=C3C=C4C=CC=CC4=CC3=C(C5=CC6=CC=CC=C6C=C52)C7=CC=CC=C7
InChI
InChI=1S/C34H22/c1-3-11-23(12-4-1)33-29-19-25-15-7-9-17-27(25)21-31(29)34(24-13-5-2-6-14-24)32-22-28-18-10-8-16-26(28)20-30(32)33/h1-22H
InChIKey
PFCSVQKCECNEAZ-UHFFFAOYSA-N
Compound name
6,13-diphenylpentacene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

260
Patents

430.17215 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.17943 209.8
[M+Na]+ 453.16137 219.2
[M-H]- 429.16487 221.9
[M+NH4]+ 448.20597 221.5
[M+K]+ 469.13531 208.4
[M+H-H2O]+ 413.16941 195.5
[M+HCOO]- 475.17035 227.9
[M+CH3COO]- 489.18600 218.4
[M+Na-2H]- 451.14682 217.3
[M]+ 430.17160 210.0
[M]- 430.17270 210.0
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