CID 20313897

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

Structural Information

Molecular Formula
C10H11ClO3
SMILES
CC1=CC(=C(C=C1)OCCC(=O)O)Cl
InChI
InChI=1S/C10H11ClO3/c1-7-2-3-9(8(11)6-7)14-5-4-10(12)13/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKey
MHEOBKMCTUBBIX-UHFFFAOYSA-N
Compound name
3-(2-chloro-4-methylphenoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

214.03967 Da
Monoisotopic Mass

2.4
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

No literature data available for this compound.

Patent stripe

patents stripe