CID 9149

Phenalene

Structural Information

Molecular Formula
C13H10
SMILES
C1C=CC2=CC=CC3=C2C1=CC=C3
InChI
InChI=1S/C13H10/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12/h1-8H,9H2
InChIKey
XDJOIMJURHQYDW-UHFFFAOYSA-N
Compound name
1H-phenalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

43
References

30655
Patents

166.07825 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.085526 131.8
[M+Na]+ 189.067468 140.3
[M-H]- 165.070974 136.6
[M+NH4]+ 184.112073 154.8
[M+K]+ 205.041408 136.1
[M+H-H2O]+ 149.075510 125.6
[M+HCOO]- 211.076451 153.5
[M+CH3COO]- 225.092101 145.8
[M+Na-2H]- 187.052916 143.1
[M]+ 166.07770142 131.4
[M]- 166.07879858 131.4
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