CID 10889272

3-(3-chloro-4-methoxyphenyl)propionic acid

Structural Information

Molecular Formula
C10H11ClO3
SMILES
COC1=C(C=C(C=C1)CCC(=O)O)Cl
InChI
InChI=1S/C10H11ClO3/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H,12,13)
InChIKey
MAYOFTZUJPQKET-UHFFFAOYSA-N
Compound name
3-(3-chloro-4-methoxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

214.03967 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.04695 141.5
[M+Na]+ 237.02889 150.7
[M-H]- 213.03239 144.2
[M+NH4]+ 232.07349 160.8
[M+K]+ 253.00283 147.2
[M+H-H2O]+ 197.03693 137.1
[M+HCOO]- 259.03787 159.7
[M+CH3COO]- 273.05352 183.9
[M+Na-2H]- 235.01434 145.8
[M]+ 214.03912 145.8
[M]- 214.04022 145.8
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