CID 93921

Ethyl 2-(2,4-dichlorophenoxy)propanoate

Structural Information

Molecular Formula
C11H12Cl2O3
SMILES
CCOC(=O)C(C)OC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C11H12Cl2O3/c1-3-15-11(14)7(2)16-10-5-4-8(12)6-9(10)13/h4-7H,3H2,1-2H3
InChIKey
ZMLMOOOPSWVIHJ-UHFFFAOYSA-N
Compound name
ethyl 2-(2,4-dichlorophenoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

262.01636 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.023636 150.4
[M+Na]+ 285.005578 159.8
[M-H]- 261.009084 153.8
[M+NH4]+ 280.050183 168.9
[M+K]+ 300.979518 155.9
[M+H-H2O]+ 245.013620 146.5
[M+HCOO]- 307.014561 163.8
[M+CH3COO]- 321.030211 194.2
[M+Na-2H]- 282.991026 152.8
[M]+ 262.01581142 157.3
[M]- 262.01690858 157.3
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

patents stripe