CID 478957

Porric acid b

Structural Information

Molecular Formula
C15H12O6
SMILES
CC1=CC(=C(C2=C1C3=C(O2)C(=CC(=C3)O)C(=O)O)O)OC
InChI
InChI=1S/C15H12O6/c1-6-3-10(20-2)12(17)14-11(6)8-4-7(16)5-9(15(18)19)13(8)21-14/h3-5,16-17H,1-2H3,(H,18,19)
InChIKey
YRDAFVVZXCAVIU-UHFFFAOYSA-N
Compound name
2,6-dihydroxy-7-methoxy-9-methyldibenzofuran-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.0634 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.07068 159.5
[M+Na]+ 311.05262 171.3
[M-H]- 287.05612 163.8
[M+NH4]+ 306.09722 176.6
[M+K]+ 327.02656 168.9
[M+H-H2O]+ 271.06066 154.7
[M+HCOO]- 333.06160 178.5
[M+CH3COO]- 347.07725 197.6
[M+Na-2H]- 309.03807 163.7
[M]+ 288.06285 166.3
[M]- 288.06395 166.3
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

No patent data available for this compound.