CID 487988

Chembl90240

Structural Information

Molecular Formula
C19H15ClO5
SMILES
COC1=CC=C(C=C1)C2=CC(OC2=O)COC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H15ClO5/c1-23-15-8-4-12(5-9-15)17-10-16(25-19(17)22)11-24-18(21)13-2-6-14(20)7-3-13/h2-10,16H,11H2,1H3
InChIKey
JLAGAQHIHOBYPK-UHFFFAOYSA-N
Compound name
[4-(4-methoxyphenyl)-5-oxo-2H-furan-2-yl]methyl 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.0608 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.06808 180.7
[M+Na]+ 381.05002 189.7
[M-H]- 357.05352 191.8
[M+NH4]+ 376.09462 194.6
[M+K]+ 397.02396 186.3
[M+H-H2O]+ 341.05806 173.4
[M+HCOO]- 403.05900 199.0
[M+CH3COO]- 417.07465 210.5
[M+Na-2H]- 379.03547 181.3
[M]+ 358.06025 187.8
[M]- 358.06135 187.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.