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 156.1
[M+Na]+ 302.99502 166.3
[M-H]- 278.99852 161.4
[M+NH4]+ 298.03962 173.0
[M+K]+ 318.96896 159.5
[M+H-H2O]+ 263.00306 151.1
[M+HCOO]- 325.00400 169.1
[M+CH3COO]- 339.01965 195.3
[M+Na-2H]- 300.98047 159.3
[M]+ 280.00525 159.7
[M]- 280.00635 159.7
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.