CID 289469

3-(4-chlorophenyl)oxolane-2,5-dione

Structural Information

Molecular Formula
C10H7ClO3
SMILES
C1C(C(=O)OC1=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H7ClO3/c11-7-3-1-6(2-4-7)8-5-9(12)14-10(8)13/h1-4,8H,5H2
InChIKey
JKYPBYBOZSIRFW-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)oxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

501
Patents

210.00838 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.01566 140.1
[M+Na]+ 232.99760 150.5
[M-H]- 209.00110 148.1
[M+NH4]+ 228.04220 160.5
[M+K]+ 248.97154 147.6
[M+H-H2O]+ 193.00564 135.4
[M+HCOO]- 255.00658 159.3
[M+CH3COO]- 269.02223 182.3
[M+Na-2H]- 230.98305 144.3
[M]+ 210.00783 142.5
[M]- 210.00893 142.5
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

patents stripe