CID 3059674

Brn 5588608

Structural Information

Molecular Formula
C16H12Cl2O4
SMILES
CC(C(=O)O)OC1=CC=CC(=C1)C(=O)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C16H12Cl2O4/c1-9(16(20)21)22-12-4-2-3-10(7-12)15(19)11-5-6-13(17)14(18)8-11/h2-9H,1H3,(H,20,21)
InChIKey
MAOJNCMBWYRCQZ-UHFFFAOYSA-N
Compound name
2-[3-(3,4-dichlorobenzoyl)phenoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.01126 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.01854 170.6
[M+Na]+ 361.00048 185.2
[M+NH4]+ 356.04508 177.7
[M+K]+ 376.97442 178.7
[M-H]- 337.00398 173.1
[M+Na-2H]- 358.98593 177.6
[M]+ 338.01071 174.0
[M]- 338.01181 174.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.