CID 10866606

39545-99-8

Structural Information

Molecular Formula
C11H10O
SMILES
C1CC(=O)C(=C1)C2=CC=CC=C2
InChI
InChI=1S/C11H10O/c12-11-8-4-7-10(11)9-5-2-1-3-6-9/h1-3,5-7H,4,8H2
InChIKey
VHRGUJICHLPTDW-UHFFFAOYSA-N
Compound name
2-phenylcyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

158.07317 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.08045 131.2
[M+Na]+ 181.06239 139.3
[M-H]- 157.06589 138.2
[M+NH4]+ 176.10699 153.8
[M+K]+ 197.03633 136.5
[M+H-H2O]+ 141.07043 125.3
[M+HCOO]- 203.07137 156.5
[M+CH3COO]- 217.08702 175.6
[M+Na-2H]- 179.04784 136.8
[M]+ 158.07262 129.7
[M]- 158.07372 129.7
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

patents stripe