CID 9169

Dibenzo[b,k]chrysene

Structural Information

Molecular Formula
C26H16
SMILES
C1=CC=C2C=C3C(=CC2=C1)C=CC4=C3C=CC5=CC6=CC=CC=C6C=C54
InChI
InChI=1S/C26H16/c1-3-7-19-15-25-21(13-17(19)5-1)9-11-24-23(25)12-10-22-14-18-6-2-4-8-20(18)16-26(22)24/h1-16H
InChIKey
DHCSBRKYHMINPB-UHFFFAOYSA-N
Compound name
hexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

34
Patents

328.1252 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.13248 178.7
[M+Na]+ 351.11442 202.0
[M+NH4]+ 346.15902 192.4
[M+K]+ 367.08836 187.4
[M-H]- 327.11792 188.1
[M+Na-2H]- 349.09987 190.3
[M]+ 328.12465 185.7
[M]- 328.12575 185.7
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