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

19
Patents

239.03493 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.042206 148.0
[M+Na]+ 262.024148 159.3
[M-H]- 238.027654 151.6
[M+NH4]+ 257.068753 165.1
[M+K]+ 277.998088 155.4
[M+H-H2O]+ 222.032190 136.6
[M+HCOO]- 284.033131 164.3
[M+CH3COO]- 298.048781 201.3
[M+Na-2H]- 260.009596 152.0
[M]+ 239.03438142 148.7
[M]- 239.03547858 148.7
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

patents stripe