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 150.2
[M+Na]+ 283.03439 159.5
[M-H]- 259.03789 153.3
[M+NH4]+ 278.07899 167.8
[M+K]+ 299.00833 157.6
[M+H-H2O]+ 243.04243 145.6
[M+HCOO]- 305.04337 167.6
[M+CH3COO]- 319.05902 192.6
[M+Na-2H]- 281.01984 152.3
[M]+ 260.04462 157.5
[M]- 260.04572 157.5
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.