CID 53383

75852-58-3

Structural Information

Molecular Formula
C16H15ClO3
SMILES
CC(C1=CC(=CC(=C1)C2=CC=C(C=C2)OC)Cl)C(=O)O
InChI
InChI=1S/C16H15ClO3/c1-10(16(18)19)12-7-13(9-14(17)8-12)11-3-5-15(20-2)6-4-11/h3-10H,1-2H3,(H,18,19)
InChIKey
JMJLCNQUCCNTSN-UHFFFAOYSA-N
Compound name
2-[3-chloro-5-(4-methoxyphenyl)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.07098 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.07826 162.4
[M+Na]+ 313.06020 170.9
[M-H]- 289.06370 168.3
[M+NH4]+ 308.10480 178.4
[M+K]+ 329.03414 166.2
[M+H-H2O]+ 273.06824 156.3
[M+HCOO]- 335.06918 179.1
[M+CH3COO]- 349.08483 199.7
[M+Na-2H]- 311.04565 164.2
[M]+ 290.07043 166.3
[M]- 290.07153 166.3
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.