CID 9153

Benzo[b]fluoranthene

Structural Information

Molecular Formula
C20H12
SMILES
C1=CC=C2C3=C4C(=CC=C3)C5=CC=CC=C5C4=CC2=C1
InChI
InChI=1S/C20H12/c1-2-7-14-13(6-1)12-19-16-9-4-3-8-15(16)18-11-5-10-17(14)20(18)19/h1-12H
InChIKey
FTOVXSOBNPWTSH-UHFFFAOYSA-N
Compound name
pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

338
References

4040
Patents

252.0939 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.101176 155.0
[M+Na]+ 275.083118 166.5
[M-H]- 251.086624 162.5
[M+NH4]+ 270.127723 178.2
[M+K]+ 291.057058 158.9
[M+H-H2O]+ 235.091160 147.6
[M+HCOO]- 297.092101 177.0
[M+CH3COO]- 311.107751 168.7
[M+Na-2H]- 273.068566 165.0
[M]+ 252.09335142 158.4
[M]- 252.09444858 158.4
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