CID 38117

Furobufen

Structural Information

Molecular Formula
C16H12O4
SMILES
C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)C(=O)CCC(=O)O
InChI
InChI=1S/C16H12O4/c17-13(6-8-16(18)19)10-5-7-15-12(9-10)11-3-1-2-4-14(11)20-15/h1-5,7,9H,6,8H2,(H,18,19)
InChIKey
LQVMQEYROPXMQH-UHFFFAOYSA-N
Compound name
4-dibenzofuran-2-yl-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

3458
Patents

268.07355 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.080826 157.8
[M+Na]+ 291.062768 167.0
[M-H]- 267.066274 163.2
[M+NH4]+ 286.107373 176.0
[M+K]+ 307.036708 164.1
[M+H-H2O]+ 251.070810 152.0
[M+HCOO]- 313.071751 178.6
[M+CH3COO]- 327.087401 195.4
[M+Na-2H]- 289.048216 163.4
[M]+ 268.07300142 162.5
[M]- 268.07409858 162.5
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