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

3436
Patents

268.07355 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08083 157.8
[M+Na]+ 291.06277 167.0
[M-H]- 267.06627 163.2
[M+NH4]+ 286.10737 176.0
[M+K]+ 307.03671 164.1
[M+H-H2O]+ 251.07081 152.0
[M+HCOO]- 313.07175 178.6
[M+CH3COO]- 327.08740 195.4
[M+Na-2H]- 289.04822 163.4
[M]+ 268.07300 162.5
[M]- 268.07410 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.