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 149.1
[M+Na]+ 280.97427 161.1
[M-H]- 256.97777 156.9
[M+NH4]+ 276.01887 170.2
[M+K]+ 296.94821 156.8
[M+H-H2O]+ 240.98231 145.8
[M+HCOO]- 302.98325 162.8
[M+CH3COO]- 316.99890 190.6
[M+Na-2H]- 278.95972 152.6
[M]+ 257.98450 153.5
[M]- 257.98560 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.