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 162.5
[M+Na]+ 317.01064 178.6
[M+NH4]+ 312.05524 171.4
[M+K]+ 332.98458 170.4
[M-H]- 293.01414 166.5
[M+Na-2H]- 314.99609 171.0
[M]+ 294.02087 166.7
[M]- 294.02197 166.7
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.