CID 9122

Dibenzo[e,l]pyrene

Structural Information

Molecular Formula
C24H14
SMILES
C1=CC=C2C3=C4C(=CC=C3)C5=CC=CC=C5C6=CC=CC(=C64)C2=C1
InChI
InChI=1S/C24H14/c1-2-8-16-15(7-1)19-11-5-13-21-17-9-3-4-10-18(17)22-14-6-12-20(16)24(22)23(19)21/h1-14H
InChIKey
BMIAHKYKCHRGBA-UHFFFAOYSA-N
Compound name
hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17,19,21-dodecaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

47
Patents

302.10956 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.11684 169.7
[M+Na]+ 325.09878 192.5
[M+NH4]+ 320.14338 183.7
[M+K]+ 341.07272 178.4
[M-H]- 301.10228 178.1
[M+Na-2H]- 323.08423 180.1
[M]+ 302.10901 176.3
[M]- 302.11011 176.3
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