CID 43842

61888-65-1

Structural Information

Molecular Formula
C15H12Cl2O3
SMILES
COC1=CC(=CC(=C1)C2=C(C=C(C=C2)Cl)Cl)CC(=O)O
InChI
InChI=1S/C15H12Cl2O3/c1-20-12-5-9(6-15(18)19)4-10(7-12)13-3-2-11(16)8-14(13)17/h2-5,7-8H,6H2,1H3,(H,18,19)
InChIKey
UVMONHIAFZUDFT-UHFFFAOYSA-N
Compound name
2-[3-(2,4-dichlorophenyl)-5-methoxyphenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

310.01636 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.02364 165.0
[M+Na]+ 333.00558 181.3
[M+NH4]+ 328.05018 173.4
[M+K]+ 348.97952 173.1
[M-H]- 309.00908 168.7
[M+Na-2H]- 330.99103 173.2
[M]+ 310.01581 169.2
[M]- 310.01691 169.2
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.