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]+ 258.992326 149.1
[M+Na]+ 280.974268 161.1
[M-H]- 256.977774 156.9
[M+NH4]+ 276.018873 170.2
[M+K]+ 296.948208 156.8
[M+H-H2O]+ 240.982310 145.8
[M+HCOO]- 302.983251 162.8
[M+CH3COO]- 316.998901 190.6
[M+Na-2H]- 278.959716 152.6
[M]+ 257.98450142 153.5
[M]- 257.98559858 153.5
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.