CID 67450

Indeno[1,2,3-cd]fluoranthene

Structural Information

Molecular Formula
C22H12
SMILES
C1=CC2=C3C=CC4=C5C=CC=CC5=C6C4=C3C(=C2C=C1)C=C6
InChI
InChI=1S/C22H12/c1-2-6-14-13(5-1)17-9-10-19-15-7-3-4-8-16(15)20-12-11-18(14)21(17)22(19)20/h1-12H
InChIKey
XAKRHFYJDSMEMI-UHFFFAOYSA-N
Compound name
hexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

63
Patents

276.0939 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.101176 161.7
[M+Na]+ 299.083118 176.9
[M-H]- 275.086624 171.4
[M+NH4]+ 294.127723 187.1
[M+K]+ 315.057058 168.5
[M+H-H2O]+ 259.091160 155.1
[M+HCOO]- 321.092101 187.4
[M+CH3COO]- 335.107751 176.8
[M+Na-2H]- 297.068566 172.0
[M]+ 276.09335142 171.7
[M]- 276.09444858 171.7
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