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]+ 245.05751 148.5
[M+Na]+ 267.03945 156.9
[M-H]- 243.04295 151.2
[M+NH4]+ 262.08405 166.4
[M+K]+ 283.01339 154.2
[M+H-H2O]+ 227.04749 143.8
[M+HCOO]- 289.04843 165.6
[M+CH3COO]- 303.06408 189.9
[M+Na-2H]- 265.02490 151.1
[M]+ 244.04968 154.0
[M]- 244.05078 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.