CID 85805

3-chloro-3-methyl-5-phenyloxolan-2-one

Structural Information

Molecular Formula
C11H11ClO2
SMILES
CC1(CC(OC1=O)C2=CC=CC=C2)Cl
InChI
InChI=1S/C11H11ClO2/c1-11(12)7-9(14-10(11)13)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKey
IVPWPXOKZYCQNZ-UHFFFAOYSA-N
Compound name
3-chloro-3-methyl-5-phenyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.04475 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.052026 142.0
[M+Na]+ 233.033968 151.8
[M-H]- 209.037474 149.8
[M+NH4]+ 228.078573 164.3
[M+K]+ 249.007908 148.8
[M+H-H2O]+ 193.042010 137.6
[M+HCOO]- 255.042951 160.5
[M+CH3COO]- 269.058601 182.4
[M+Na-2H]- 231.019416 147.4
[M]+ 210.04420142 143.8
[M]- 210.04529858 143.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.