CID 43845

61888-68-4

Structural Information

Molecular Formula
C16H15ClO3
SMILES
COC1=CC(=CC(=C1)C2=CC=C(C=C2)Cl)CCC(=O)O
InChI
InChI=1S/C16H15ClO3/c1-20-15-9-11(2-7-16(18)19)8-13(10-15)12-3-5-14(17)6-4-12/h3-6,8-10H,2,7H2,1H3,(H,18,19)
InChIKey
AYVTVYUNJPRWEQ-UHFFFAOYSA-N
Compound name
3-[3-(4-chlorophenyl)-5-methoxyphenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.07098 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.07826 163.1
[M+Na]+ 313.06020 171.8
[M-H]- 289.06370 168.8
[M+NH4]+ 308.10480 179.0
[M+K]+ 329.03414 166.5
[M+H-H2O]+ 273.06824 156.7
[M+HCOO]- 335.06918 180.6
[M+CH3COO]- 349.08483 198.8
[M+Na-2H]- 311.04565 165.9
[M]+ 290.07043 167.5
[M]- 290.07153 167.5
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.