CID 43085757

Methyl 3-(2,4-dichlorophenoxy)propanoate

Structural Information

Molecular Formula
C10H10Cl2O3
SMILES
COC(=O)CCOC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C10H10Cl2O3/c1-14-10(13)4-5-15-9-3-2-7(11)6-8(9)12/h2-3,6H,4-5H2,1H3
InChIKey
MKNBYTBUULRHFA-UHFFFAOYSA-N
Compound name
methyl 3-(2,4-dichlorophenoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.0007 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.00798 146.4
[M+Na]+ 270.98992 156.4
[M-H]- 246.99342 149.8
[M+NH4]+ 266.03452 165.4
[M+K]+ 286.96386 152.3
[M+H-H2O]+ 230.99796 142.5
[M+HCOO]- 292.99890 161.0
[M+CH3COO]- 307.01455 190.4
[M+Na-2H]- 268.97537 150.5
[M]+ 248.00015 153.4
[M]- 248.00125 153.4
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.