CID 164564

Dibenzo(e,k)acephenanthrylene

Structural Information

Molecular Formula
C24H14
SMILES
C1=CC=C2C=C3C4=C5C(=CC=C4)C6=CC=CC=C6C5=CC3=CC2=C1
InChI
InChI=1S/C24H14/c1-2-7-16-13-22-17(12-15(16)6-1)14-23-19-9-4-3-8-18(19)20-10-5-11-21(22)24(20)23/h1-14H
InChIKey
SCQIPRLBRNOUOX-UHFFFAOYSA-N
Compound name
hexacyclo[11.10.1.02,11.04,9.014,19.020,24]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

302.10956 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.116836 168.7
[M+Na]+ 325.098778 180.1
[M-H]- 301.102284 176.9
[M+NH4]+ 320.143383 190.4
[M+K]+ 341.072718 171.2
[M+H-H2O]+ 285.106820 159.8
[M+HCOO]- 347.107761 188.5
[M+CH3COO]- 361.123411 181.1
[M+Na-2H]- 323.084226 177.9
[M]+ 302.10901142 172.0
[M]- 302.11010858 172.0
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