CID 119030984

Methyl 2-(3,4-dichlorophenyl)-3-hydroxypropanoate

Structural Information

Molecular Formula
C10H10Cl2O3
SMILES
COC(=O)C(CO)C1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C10H10Cl2O3/c1-15-10(14)7(5-13)6-2-3-8(11)9(12)4-6/h2-4,7,13H,5H2,1H3
InChIKey
VWPJQLPZFIYXCG-UHFFFAOYSA-N
Compound name
methyl 2-(3,4-dichlorophenyl)-3-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.0007 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.007976 146.0
[M+Na]+ 270.989918 155.4
[M-H]- 246.993424 148.3
[M+NH4]+ 266.034523 164.3
[M+K]+ 286.963858 150.9
[M+H-H2O]+ 230.997960 142.7
[M+HCOO]- 292.998901 158.3
[M+CH3COO]- 307.014551 188.8
[M+Na-2H]- 268.975366 148.5
[M]+ 248.00015142 150.7
[M]- 248.00124858 150.7
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.