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]+ 240.04221 148.0
[M+Na]+ 262.02415 159.3
[M-H]- 238.02765 151.6
[M+NH4]+ 257.06875 165.1
[M+K]+ 277.99809 155.4
[M+H-H2O]+ 222.03219 136.6
[M+HCOO]- 284.03313 164.3
[M+CH3COO]- 298.04878 201.3
[M+Na-2H]- 260.00960 152.0
[M]+ 239.03438 148.7
[M]- 239.03548 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.