CID 468204

4,4'-methylenebis(3-bromo-2-hydroxybenzoic acid)

Structural Information

Molecular Formula
C15H10Br2O6
SMILES
C1=CC(=C(C(=C1CC2=C(C(=C(C=C2)C(=O)O)O)Br)Br)O)C(=O)O
InChI
InChI=1S/C15H10Br2O6/c16-10-6(1-3-8(12(10)18)14(20)21)5-7-2-4-9(15(22)23)13(19)11(7)17/h1-4,18-19H,5H2,(H,20,21)(H,22,23)
InChIKey
MFXCAWGDEGHAGR-UHFFFAOYSA-N
Compound name
3-bromo-4-[(2-bromo-4-carboxy-3-hydroxyphenyl)methyl]-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

443.8844 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.89168 169.7
[M+Na]+ 466.87362 178.2
[M-H]- 442.87712 174.7
[M+NH4]+ 461.91822 181.4
[M+K]+ 482.84756 162.6
[M+H-H2O]+ 426.88166 175.8
[M+HCOO]- 488.88260 179.8
[M+CH3COO]- 502.89825 218.6
[M+Na-2H]- 464.85907 170.1
[M]+ 443.88385 203.0
[M]- 443.88495 203.0
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

No patent data available for this compound.