CID 75229

1-acenaphthenone

Structural Information

Molecular Formula
C12H8O
SMILES
C1C2=CC=CC3=C2C(=CC=C3)C1=O
InChI
InChI=1S/C12H8O/c13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h1-6H,7H2
InChIKey
JBXIOAKUBCTDES-UHFFFAOYSA-N
Compound name
2H-acenaphthylen-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

19
References

766
Patents

168.05751 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06479 131.7
[M+Na]+ 191.04673 146.5
[M+NH4]+ 186.09133 143.0
[M+K]+ 207.02067 139.9
[M-H]- 167.05023 135.2
[M+Na-2H]- 189.03218 138.5
[M]+ 168.05696 134.9
[M]- 168.05806 134.9
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