CID 39876

51028-89-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

6
References

5
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 158.4
[M+Na]+ 299.04455 167.6
[M-H]- 275.04805 164.3
[M+NH4]+ 294.08915 174.9
[M+K]+ 315.01849 162.5
[M+H-H2O]+ 259.05259 152.2
[M+HCOO]- 321.05353 176.3
[M+CH3COO]- 335.06918 195.8
[M+Na-2H]- 297.03000 161.8
[M]+ 276.05478 162.4
[M]- 276.05588 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

patents stripe