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
3
Annotation Hits

0
References

38
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 176.0
[M+Na]+ 351.11442 187.3
[M-H]- 327.11792 184.2
[M+NH4]+ 346.15902 194.1
[M+K]+ 367.08836 177.8
[M+H-H2O]+ 311.12246 164.9
[M+HCOO]- 373.12340 195.0
[M+CH3COO]- 387.13905 187.3
[M+Na-2H]- 349.09987 187.8
[M]+ 328.12465 178.0
[M]- 328.12575 178.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.