CID 9144

Benzo[ghi]fluoranthene

Structural Information

Molecular Formula
C18H10
SMILES
C1=CC2=C3C(=C1)C4=CC=CC5=C4C3=C(C=C2)C=C5
InChI
InChI=1S/C18H10/c1-3-11-7-9-13-10-8-12-4-2-6-15-14(5-1)16(11)18(13)17(12)15/h1-10H
InChIKey
YEIHPPOCKIHUQJ-UHFFFAOYSA-N
Compound name
pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2(7),3,5,8,11,13(18),14,16-nonaene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

11
References

191
Patents

226.07825 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08553 147.5
[M+Na]+ 249.06747 158.6
[M-H]- 225.07097 153.8
[M+NH4]+ 244.11207 172.3
[M+K]+ 265.04141 151.9
[M+H-H2O]+ 209.07551 140.5
[M+HCOO]- 271.07645 168.9
[M+CH3COO]- 285.09210 161.5
[M+Na-2H]- 247.05292 158.5
[M]+ 226.07770 152.5
[M]- 226.07880 152.5
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