CID 26689

Ethyl 2-(4-chlorophenoxy)acetate

Structural Information

Molecular Formula
C10H11ClO3
SMILES
CCOC(=O)COC1=CC=C(C=C1)Cl
InChI
InChI=1S/C10H11ClO3/c1-2-13-10(12)7-14-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3
InChIKey
QULRDJFRGVHKLN-UHFFFAOYSA-N
Compound name
ethyl 2-(4-chlorophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

214.03967 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.04695 142.1
[M+Na]+ 237.02889 155.4
[M+NH4]+ 232.07349 150.4
[M+K]+ 253.00283 148.8
[M-H]- 213.03239 143.6
[M+Na-2H]- 235.01434 148.8
[M]+ 214.03912 144.7
[M]- 214.04022 144.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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