CID 825547

5-(5-formylfuran-2-yl)-2-hydroxybenzoic acid

Structural Information

Molecular Formula
C12H8O5
SMILES
C1=CC(=C(C=C1C2=CC=C(O2)C=O)C(=O)O)O
InChI
InChI=1S/C12H8O5/c13-6-8-2-4-11(17-8)7-1-3-10(14)9(5-7)12(15)16/h1-6,14H,(H,15,16)
InChIKey
CYEKBFDCMORSFM-UHFFFAOYSA-N
Compound name
5-(5-formylfuran-2-yl)-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

17
Patents

232.03717 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.044446 145.8
[M+Na]+ 255.026388 155.0
[M-H]- 231.029894 151.7
[M+NH4]+ 250.070993 162.9
[M+K]+ 271.000328 153.2
[M+H-H2O]+ 215.034430 140.2
[M+HCOO]- 277.035371 168.2
[M+CH3COO]- 291.051021 184.2
[M+Na-2H]- 253.011836 149.4
[M]+ 232.03662142 148.3
[M]- 232.03771858 148.3
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

patents stripe