CID 55247891

Methyl 2-(2-chloro-3,4-dimethoxyphenyl)-2-hydroxyacetate

Structural Information

Molecular Formula
C11H13ClO5
SMILES
COC1=C(C(=C(C=C1)C(C(=O)OC)O)Cl)OC
InChI
InChI=1S/C11H13ClO5/c1-15-7-5-4-6(8(12)10(7)16-2)9(13)11(14)17-3/h4-5,9,13H,1-3H3
InChIKey
RJSFGNUIPUJXGY-UHFFFAOYSA-N
Compound name
methyl 2-(2-chloro-3,4-dimethoxyphenyl)-2-hydroxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.04517 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.05245 151.9
[M+Na]+ 283.03439 163.9
[M+NH4]+ 278.07899 158.3
[M+K]+ 299.00833 159.6
[M-H]- 259.03789 151.7
[M+Na-2H]- 281.01984 156.0
[M]+ 260.04462 153.6
[M]- 260.04572 153.6
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.