CID 120799

2-(4-chloro-3-methylphenoxy)propanoic acid

Structural Information

Molecular Formula
C10H11ClO3
SMILES
CC1=C(C=CC(=C1)OC(C)C(=O)O)Cl
InChI
InChI=1S/C10H11ClO3/c1-6-5-8(3-4-9(6)11)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)
InChIKey
DRKJHOSTQZAYFT-UHFFFAOYSA-N
Compound name
2-(4-chloro-3-methylphenoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

214.03967 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.04695 142.2
[M+Na]+ 237.02889 155.0
[M+NH4]+ 232.07349 150.0
[M+K]+ 253.00283 149.7
[M-H]- 213.03239 143.0
[M+Na-2H]- 235.01434 147.7
[M]+ 214.03912 144.4
[M]- 214.04022 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe