CID 8671

Pentacene

Structural Information

Molecular Formula
C22H14
SMILES
C1=CC=C2C=C3C=C4C=C5C=CC=CC5=CC4=CC3=CC2=C1
InChI
InChI=1S/C22H14/c1-2-6-16-10-20-14-22-12-18-8-4-3-7-17(18)11-21(22)13-19(20)9-15(16)5-1/h1-14H
InChIKey
SLIUAWYAILUBJU-UHFFFAOYSA-N
Compound name
pentacene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

442
References

71320
Patents

278.10956 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11684 163.2
[M+Na]+ 301.09878 185.4
[M+NH4]+ 296.14338 176.6
[M+K]+ 317.07272 172.0
[M-H]- 277.10228 171.7
[M+Na-2H]- 299.08423 175.2
[M]+ 278.10901 169.6
[M]- 278.11011 169.6
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