CID 468202

4,4'-methylenebis(2-hydroxybenzoic acid)

Structural Information

Molecular Formula
C15H12O6
SMILES
C1=CC(=C(C=C1CC2=CC(=C(C=C2)C(=O)O)O)O)C(=O)O
InChI
InChI=1S/C15H12O6/c16-12-6-8(1-3-10(12)14(18)19)5-9-2-4-11(15(20)21)13(17)7-9/h1-4,6-7,16-17H,5H2,(H,18,19)(H,20,21)
InChIKey
XVTWWVBIJUKHLZ-UHFFFAOYSA-N
Compound name
4-[(4-carboxy-3-hydroxyphenyl)methyl]-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.0634 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.07068 161.0
[M+Na]+ 311.05262 168.3
[M-H]- 287.05612 163.2
[M+NH4]+ 306.09722 173.7
[M+K]+ 327.02656 164.8
[M+H-H2O]+ 271.06066 154.3
[M+HCOO]- 333.06160 178.5
[M+CH3COO]- 347.07725 193.5
[M+Na-2H]- 309.03807 161.6
[M]+ 288.06285 160.6
[M]- 288.06395 160.6
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.