CID 464237

2-[(2,5-dichlorophenyl)carbonyl]-4,5-dihydroxybenzoic acid

Structural Information

Molecular Formula
C14H8Cl2O5
SMILES
C1=CC(=C(C=C1Cl)C(=O)C2=CC(=C(C=C2C(=O)O)O)O)Cl
InChI
InChI=1S/C14H8Cl2O5/c15-6-1-2-10(16)9(3-6)13(19)7-4-11(17)12(18)5-8(7)14(20)21/h1-5,17-18H,(H,20,21)
InChIKey
RFHUPZQTUAZDAR-UHFFFAOYSA-N
Compound name
2-(2,5-dichlorobenzoyl)-4,5-dihydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.97488 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.98216 160.7
[M+Na]+ 348.96410 171.3
[M-H]- 324.96760 164.5
[M+NH4]+ 344.00870 174.7
[M+K]+ 364.93804 165.3
[M+H-H2O]+ 308.97214 156.8
[M+HCOO]- 370.97308 170.8
[M+CH3COO]- 384.98873 199.8
[M+Na-2H]- 346.94955 161.1
[M]+ 325.97433 164.8
[M]- 325.97543 164.8
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.