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]+ 175.07536 134.4
[M+Na]+ 197.05730 142.7
[M-H]- 173.06080 141.5
[M+NH4]+ 192.10190 156.5
[M+K]+ 213.03124 140.0
[M+H-H2O]+ 157.06534 128.7
[M+HCOO]- 219.06628 158.6
[M+CH3COO]- 233.08193 178.2
[M+Na-2H]- 195.04275 138.4
[M]+ 174.06753 132.6
[M]- 174.06863 132.7
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

No patent data available for this compound.