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
2
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]+ 275.046946 158.0
[M+Na]+ 297.028888 169.3
[M-H]- 273.032394 163.8
[M+NH4]+ 292.073493 177.4
[M+K]+ 313.002828 164.9
[M+H-H2O]+ 257.036930 153.5
[M+HCOO]- 319.037871 174.2
[M+CH3COO]- 333.053521 171.4
[M+Na-2H]- 295.014336 162.9
[M]+ 274.03912142 164.4
[M]- 274.04021858 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

literature stripe

Patent stripe

patents stripe