CID 43134893

3-(3,4-dichlorophenyl)-3-methyloxolane-2,5-dione

Structural Information

Molecular Formula
C11H8Cl2O3
SMILES
CC1(CC(=O)OC1=O)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C11H8Cl2O3/c1-11(5-9(14)16-10(11)15)6-2-3-7(12)8(13)4-6/h2-4H,5H2,1H3
InChIKey
ZJQKWHGYVMACBW-UHFFFAOYSA-N
Compound name
3-(3,4-dichlorophenyl)-3-methyloxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.98505 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.99233 148.1
[M+Na]+ 280.97427 162.7
[M+NH4]+ 276.01887 158.1
[M+K]+ 296.94821 155.7
[M-H]- 256.97777 152.2
[M+Na-2H]- 278.95972 155.6
[M]+ 257.98450 152.1
[M]- 257.98560 152.1
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.