CID 215110

2-(p-chlorophenyl)-5-oxotetrahydro-2-furoic acid

Structural Information

Molecular Formula
C11H9ClO4
SMILES
C1CC(=O)OC1C(=O)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H9ClO4/c12-7-1-3-8(4-2-7)15-11(14)9-5-6-10(13)16-9/h1-4,9H,5-6H2
InChIKey
KJLRZIRITYMUHF-UHFFFAOYSA-N
Compound name
(4-chlorophenyl) 5-oxooxolane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.01894 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.02622 148.3
[M+Na]+ 263.00816 156.9
[M-H]- 239.01166 155.9
[M+NH4]+ 258.05276 167.0
[M+K]+ 278.98210 154.8
[M+H-H2O]+ 223.01620 143.1
[M+HCOO]- 285.01714 166.3
[M+CH3COO]- 299.03279 186.4
[M+Na-2H]- 260.99361 151.4
[M]+ 240.01839 151.4
[M]- 240.01949 151.4
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.