CID 53384

Brn 5059503

Structural Information

Molecular Formula
C15H12Cl2O2
SMILES
CC(C1=CC(=CC(=C1)C2=CC=C(C=C2)Cl)Cl)C(=O)O
InChI
InChI=1S/C15H12Cl2O2/c1-9(15(18)19)11-6-12(8-14(17)7-11)10-2-4-13(16)5-3-10/h2-9H,1H3,(H,18,19)
InChIKey
IVHRLHIWQXQHGQ-UHFFFAOYSA-N
Compound name
2-[3-chloro-5-(4-chlorophenyl)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.02142 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.02870 159.8
[M+Na]+ 317.01064 169.3
[M-H]- 293.01414 165.0
[M+NH4]+ 312.05524 176.1
[M+K]+ 332.98458 162.7
[M+H-H2O]+ 277.01868 154.8
[M+HCOO]- 339.01962 171.5
[M+CH3COO]- 353.03527 199.1
[M+Na-2H]- 314.99609 161.4
[M]+ 294.02087 163.2
[M]- 294.02197 163.2
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.