CID 602781

2,3-dihydro-1h-phenalen-1-one

Structural Information

Molecular Formula
C13H10O
SMILES
C1CC(=O)C2=CC=CC3=C2C1=CC=C3
InChI
InChI=1S/C13H10O/c14-12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10/h1-6H,7-8H2
InChIKey
NUCARPFILXBGFK-UHFFFAOYSA-N
Compound name
2,3-dihydrophenalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

173
Patents

182.07317 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.080446 135.4
[M+Na]+ 205.062388 143.9
[M-H]- 181.065894 140.2
[M+NH4]+ 200.106993 157.8
[M+K]+ 221.036328 139.9
[M+H-H2O]+ 165.070430 129.2
[M+HCOO]- 227.071371 156.0
[M+CH3COO]- 241.087021 149.1
[M+Na-2H]- 203.047836 144.9
[M]+ 182.07262142 134.6
[M]- 182.07371858 134.6
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