CID 468203

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

Structural Information

Molecular Formula
C15H10Cl2O6
SMILES
C1=CC(=C(C(=C1CC2=C(C(=C(C=C2)C(=O)O)O)Cl)Cl)O)C(=O)O
InChI
InChI=1S/C15H10Cl2O6/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
AUSOMVVWWYDSPZ-UHFFFAOYSA-N
Compound name
4-[(4-carboxy-2-chloro-3-hydroxyphenyl)methyl]-3-chloro-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.98544 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.99272 167.1
[M+Na]+ 378.97466 177.4
[M-H]- 354.97816 169.7
[M+NH4]+ 374.01926 179.4
[M+K]+ 394.94860 171.5
[M+H-H2O]+ 338.98270 163.4
[M+HCOO]- 400.98364 175.6
[M+CH3COO]- 414.99929 204.3
[M+Na-2H]- 376.96011 166.1
[M]+ 355.98489 171.6
[M]- 355.98599 171.6
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.