CID 218473

2-(acetyloxy)ethyl 2-(4-chlorophenoxy)-2-methylpropanoate

Structural Information

Molecular Formula
C14H17ClO5
SMILES
CC(=O)OCCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl
InChI
InChI=1S/C14H17ClO5/c1-10(16)18-8-9-19-13(17)14(2,3)20-12-6-4-11(15)5-7-12/h4-7H,8-9H2,1-3H3
InChIKey
IZRUZEFLRNHIRM-UHFFFAOYSA-N
Compound name
2-acetyloxyethyl 2-(4-chlorophenoxy)-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.07645 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.08373 163.9
[M+Na]+ 323.06567 171.3
[M-H]- 299.06917 167.6
[M+NH4]+ 318.11027 180.1
[M+K]+ 339.03961 169.3
[M+H-H2O]+ 283.07371 158.7
[M+HCOO]- 345.07465 180.5
[M+CH3COO]- 359.09030 200.4
[M+Na-2H]- 321.05112 167.3
[M]+ 300.07590 172.3
[M]- 300.07700 172.3
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.