CID 68779

Furcloprofen

Structural Information

Molecular Formula
C15H11ClO3
SMILES
CC(C1=CC2=C(C=C1)C3=C(O2)C=CC(=C3)Cl)C(=O)O
InChI
InChI=1S/C15H11ClO3/c1-8(15(17)18)9-2-4-11-12-7-10(16)3-5-13(12)19-14(11)6-9/h2-8H,1H3,(H,17,18)
InChIKey
KWGCXQZMMAVJTB-UHFFFAOYSA-N
Compound name
2-(8-chlorodibenzofuran-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

839
Patents

274.03967 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.04695 158.0
[M+Na]+ 297.02889 169.3
[M-H]- 273.03239 163.8
[M+NH4]+ 292.07349 177.4
[M+K]+ 313.00283 164.9
[M+H-H2O]+ 257.03693 153.5
[M+HCOO]- 319.03787 174.2
[M+CH3COO]- 333.05352 171.4
[M+Na-2H]- 295.01434 162.9
[M]+ 274.03912 164.4
[M]- 274.04022 164.4
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.