CID 5287495

2',4'-dichloro-4-hydroxy-1,1'-biphenyl-3-carboxylic acid

Structural Information

Molecular Formula
C13H8Cl2O3
SMILES
C1=CC(=C(C=C1C2=C(C=C(C=C2)Cl)Cl)C(=O)O)O
InChI
InChI=1S/C13H8Cl2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)
InChIKey
SKAFZYDMDHPPJM-UHFFFAOYSA-N
Compound name
5-(2,4-dichlorophenyl)-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

80
Patents

281.98505 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.99233 153.8
[M+Na]+ 304.97427 164.7
[M-H]- 280.97777 158.3
[M+NH4]+ 300.01887 170.2
[M+K]+ 320.94821 158.1
[M+H-H2O]+ 264.98231 149.5
[M+HCOO]- 326.98325 165.9
[M+CH3COO]- 340.99890 193.2
[M+Na-2H]- 302.95972 156.5
[M]+ 281.98450 157.0
[M]- 281.98560 157.0
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

patents stripe