CID 83721644

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

Structural Information

Molecular Formula
C11H13ClO4
SMILES
CC1=C(C=CC(=C1)Cl)OC(COC)C(=O)O
InChI
InChI=1S/C11H13ClO4/c1-7-5-8(12)3-4-9(7)16-10(6-15-2)11(13)14/h3-5,10H,6H2,1-2H3,(H,13,14)
InChIKey
KWSBLWJEYJZDMO-UHFFFAOYSA-N
Compound name
2-(4-chloro-2-methylphenoxy)-3-methoxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.05023 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.057506 148.5
[M+Na]+ 267.039448 156.9
[M-H]- 243.042954 151.2
[M+NH4]+ 262.084053 166.4
[M+K]+ 283.013388 154.2
[M+H-H2O]+ 227.047490 143.8
[M+HCOO]- 289.048431 165.6
[M+CH3COO]- 303.064081 189.9
[M+Na-2H]- 265.024896 151.1
[M]+ 244.04968142 154.0
[M]- 244.05077858 154.0
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

No patent data available for this compound.