CID 4329918

Ethyl 2-(2,3-dichlorophenoxy)acetate

Structural Information

Molecular Formula
C10H10Cl2O3
SMILES
CCOC(=O)COC1=C(C(=CC=C1)Cl)Cl
InChI
InChI=1S/C10H10Cl2O3/c1-2-14-9(13)6-15-8-5-3-4-7(11)10(8)12/h3-5H,2,6H2,1H3
InChIKey
BQMMOIPXVZAINF-UHFFFAOYSA-N
Compound name
ethyl 2-(2,3-dichlorophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.0007 Da
Monoisotopic Mass

3.4
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

literature stripe

Patent stripe

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