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

18
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

literature stripe

Patent stripe

patents stripe