CID 21480

Dibenzo[a,e]fluoranthene

Structural Information

Molecular Formula
C24H14
SMILES
C1=CC=C2C(=C1)C=C3C4=CC=CC=C4C5=C3C2=CC6=CC=CC=C65
InChI
InChI=1S/C24H14/c1-3-9-17-15(7-1)13-22-19-11-5-6-12-20(19)23-18-10-4-2-8-16(18)14-21(17)24(22)23/h1-14H
InChIKey
JHOWUOKQHJHGMU-UHFFFAOYSA-N
Compound name
hexacyclo[14.7.1.02,7.08,24.09,14.017,22]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

19
References

79
Patents

302.10956 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.11684 168.7
[M+Na]+ 325.09878 180.1
[M-H]- 301.10228 176.9
[M+NH4]+ 320.14338 190.4
[M+K]+ 341.07272 171.2
[M+H-H2O]+ 285.10682 159.8
[M+HCOO]- 347.10776 188.5
[M+CH3COO]- 361.12341 181.1
[M+Na-2H]- 323.08423 177.9
[M]+ 302.10901 172.0
[M]- 302.11011 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