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

369
Patents

210.00838 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.015656 140.1
[M+Na]+ 232.997598 150.5
[M-H]- 209.001104 148.1
[M+NH4]+ 228.042203 160.5
[M+K]+ 248.971538 147.6
[M+H-H2O]+ 193.005640 135.4
[M+HCOO]- 255.006581 159.3
[M+CH3COO]- 269.022231 182.3
[M+Na-2H]- 230.983046 144.3
[M]+ 210.00783142 142.5
[M]- 210.00892858 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