CID 3022

Dibenzofuran-4,6-dicarboxylic acid

Structural Information

Molecular Formula
C14H8O5
SMILES
C1=CC2=C(C(=C1)C(=O)O)OC3=C2C=CC=C3C(=O)O
InChI
InChI=1S/C14H8O5/c15-13(16)9-5-1-3-7-8-4-2-6-10(14(17)18)12(8)19-11(7)9/h1-6H,(H,15,16)(H,17,18)
InChIKey
HBBGSNOHAGNQRQ-UHFFFAOYSA-N
Compound name
dibenzofuran-4,6-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

118
Patents

256.03717 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.04445 150.8
[M+Na]+ 279.02639 161.2
[M-H]- 255.02989 155.7
[M+NH4]+ 274.07099 169.0
[M+K]+ 295.00033 158.7
[M+H-H2O]+ 239.03443 145.7
[M+HCOO]- 301.03537 170.9
[M+CH3COO]- 315.05102 190.7
[M+Na-2H]- 277.01184 156.7
[M]+ 256.03662 155.0
[M]- 256.03772 155.0
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