CID 9152

Benzo(j)fluoranthene

Structural Information

Molecular Formula
C20H12
SMILES
C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC5=C4C3=CC=C5
InChI
InChI=1S/C20H12/c1-2-8-15-13(5-1)11-12-17-16-9-3-6-14-7-4-10-18(19(14)16)20(15)17/h1-12H
InChIKey
KHNYNFUTFKJLDD-UHFFFAOYSA-N
Compound name
pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12,14,16(20),17-decaene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

47
References

5702
Patents

252.0939 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.10118 155.0
[M+Na]+ 275.08312 174.7
[M+NH4]+ 270.12772 168.4
[M+K]+ 291.05706 164.4
[M-H]- 251.08662 161.9
[M+Na-2H]- 273.06857 164.3
[M]+ 252.09335 160.4
[M]- 252.09445 160.4
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