CID 20586611

3-[(4-chlorophenyl)methyl]oxolane-2,5-dione

Structural Information

Molecular Formula
C11H9ClO3
SMILES
C1C(C(=O)OC1=O)CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H9ClO3/c12-9-3-1-7(2-4-9)5-8-6-10(13)15-11(8)14/h1-4,8H,5-6H2
InChIKey
CVKJJLKYLJDWDM-UHFFFAOYSA-N
Compound name
3-[(4-chlorophenyl)methyl]oxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

224.02402 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.031296 144.9
[M+Na]+ 247.013238 154.9
[M-H]- 223.016744 152.7
[M+NH4]+ 242.057843 164.8
[M+K]+ 262.987178 151.7
[M+H-H2O]+ 207.021280 140.0
[M+HCOO]- 269.022221 163.7
[M+CH3COO]- 283.037871 185.3
[M+Na-2H]- 244.998686 148.5
[M]+ 224.02347142 147.6
[M]- 224.02456858 147.6
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

patents stripe