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]+ 249.00798 146.0
[M+Na]+ 270.98992 155.4
[M-H]- 246.99342 148.3
[M+NH4]+ 266.03452 164.3
[M+K]+ 286.96386 150.9
[M+H-H2O]+ 230.99796 142.7
[M+HCOO]- 292.99890 158.3
[M+CH3COO]- 307.01455 188.8
[M+Na-2H]- 268.97537 148.5
[M]+ 248.00015 150.7
[M]- 248.00125 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.