CID 53378

3-biphenylacetic acid, 4',5-dichloro-

Structural Information

Molecular Formula
C14H10Cl2O2
SMILES
C1=CC(=CC=C1C2=CC(=CC(=C2)CC(=O)O)Cl)Cl
InChI
InChI=1S/C14H10Cl2O2/c15-12-3-1-10(2-4-12)11-5-9(7-14(17)18)6-13(16)8-11/h1-6,8H,7H2,(H,17,18)
InChIKey
JTPBUSTYAQQAAU-UHFFFAOYSA-N
Compound name
2-[3-chloro-5-(4-chlorophenyl)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

280.0058 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.01308 158.1
[M+Na]+ 302.99502 174.7
[M+NH4]+ 298.03962 167.2
[M+K]+ 318.96896 166.0
[M-H]- 278.99852 162.3
[M+Na-2H]- 300.98047 167.2
[M]+ 280.00525 162.4
[M]- 280.00635 162.4
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.