CID 90205380

Ethyl 2-(3-chloro-5-cyanophenoxy)acetate

Structural Information

Molecular Formula
C11H10ClNO3
SMILES
CCOC(=O)COC1=CC(=CC(=C1)C#N)Cl
InChI
InChI=1S/C11H10ClNO3/c1-2-15-11(14)7-16-10-4-8(6-13)3-9(12)5-10/h3-5H,2,7H2,1H3
InChIKey
KESOHXVPDGLZFA-UHFFFAOYSA-N
Compound name
ethyl 2-(3-chloro-5-cyanophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

239.03493 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.04221 146.1
[M+Na]+ 262.02415 158.6
[M+NH4]+ 257.06875 150.4
[M+K]+ 277.99809 149.4
[M-H]- 238.02765 140.2
[M+Na-2H]- 260.00960 149.7
[M]+ 239.03438 145.6
[M]- 239.03548 145.6
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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