CID 145908364

2450648-68-5

Structural Information

Molecular Formula
C14H11ClO4
SMILES
C1C(C2=C1C=CC(=C2)Cl)C(=O)OCC3=CC(=O)OC3
InChI
InChI=1S/C14H11ClO4/c15-10-2-1-9-4-12(11(9)5-10)14(17)19-7-8-3-13(16)18-6-8/h1-3,5,12H,4,6-7H2
InChIKey
CETUFZRCRCJZEK-UHFFFAOYSA-N
Compound name
(5-oxo-2H-furan-3-yl)methyl 4-chlorobicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.03458 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.041856 149.6
[M+Na]+ 301.023798 158.0
[M-H]- 277.027304 158.0
[M+NH4]+ 296.068403 161.8
[M+K]+ 316.997738 158.1
[M+H-H2O]+ 261.031840 139.9
[M+HCOO]- 323.032781 166.3
[M+CH3COO]- 337.048431 198.9
[M+Na-2H]- 299.009246 153.2
[M]+ 278.03403142 164.0
[M]- 278.03512858 164.0
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.