CID 6428082

Dibenzo[j,l]fluoranthene

Structural Information

Molecular Formula
C24H14
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2C5=CC=CC6=C5C4=CC=C6
InChI
InChI=1S/C24H14/c1-3-11-18-16(9-1)17-10-2-4-12-19(17)24-21-14-6-8-15-7-5-13-20(22(15)21)23(18)24/h1-14H
InChIKey
JYVYSXOKKXPQHQ-UHFFFAOYSA-N
Compound name
hexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16,18,20(24),21-dodecaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

89
Patents

302.10956 Da
Monoisotopic Mass

7.7
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