CID 53806

Brn 5059917

Structural Information

Molecular Formula
C15H13ClO3
SMILES
COC1=C(C=C(C=C1)C2=CC=C(C=C2)Cl)CC(=O)O
InChI
InChI=1S/C15H13ClO3/c1-19-14-7-4-11(8-12(14)9-15(17)18)10-2-5-13(16)6-3-10/h2-8H,9H2,1H3,(H,17,18)
InChIKey
XJQBKQUXUQRYJO-UHFFFAOYSA-N
Compound name
2-[5-(4-chlorophenyl)-2-methoxyphenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.05533 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.06261 159.4
[M+Na]+ 299.04455 174.9
[M+NH4]+ 294.08915 167.8
[M+K]+ 315.01849 167.2
[M-H]- 275.04805 163.3
[M+Na-2H]- 297.03000 168.0
[M]+ 276.05478 163.1
[M]- 276.05588 163.1
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.