CID 86209240

4-phenylcyclopentane-1,2-dione

Structural Information

Molecular Formula
C11H10O2
SMILES
C1C(CC(=O)C1=O)C2=CC=CC=C2
InChI
InChI=1S/C11H10O2/c12-10-6-9(7-11(10)13)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey
VTKXYMCDNZRKPS-UHFFFAOYSA-N
Compound name
4-phenylcyclopentane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.06808 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.075356 134.4
[M+Na]+ 197.057298 142.7
[M-H]- 173.060804 141.5
[M+NH4]+ 192.101903 156.5
[M+K]+ 213.031238 140.0
[M+H-H2O]+ 157.065340 128.7
[M+HCOO]- 219.066281 158.6
[M+CH3COO]- 233.081931 178.2
[M+Na-2H]- 195.042746 138.4
[M]+ 174.06753142 132.6
[M]- 174.06862858 132.6
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

No patent data available for this compound.