CID 12346104

Ethyl 2-(2-chlorophenoxy)-2-methylpropanoate

Structural Information

Molecular Formula
C12H15ClO3
SMILES
CCOC(=O)C(C)(C)OC1=CC=CC=C1Cl
InChI
InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-8-6-5-7-9(10)13/h5-8H,4H2,1-3H3
InChIKey
BSCNTFFJGFWPGX-UHFFFAOYSA-N
Compound name
ethyl 2-(2-chlorophenoxy)-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

242.07097 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07825 151.7
[M+Na]+ 265.06019 164.3
[M+NH4]+ 260.10479 159.4
[M+K]+ 281.03413 158.4
[M-H]- 241.06369 152.5
[M+Na-2H]- 263.04564 157.7
[M]+ 242.07042 154.0
[M]- 242.07152 154.0
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