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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	243.07825	151.1
[M+Na]+	265.06019	159.5
[M-H]-	241.06369	155.0
[M+NH4]+	260.10479	169.9
[M+K]+	281.03413	156.8
[M+H-H2O]+	225.06823	146.4
[M+HCOO]-	287.06917	168.6
[M+CH3COO]-	301.08482	191.0
[M+Na-2H]-	263.04564	156.3
[M]+	242.07042	157.1
[M]-	242.07152	157.1

Literature stripe

literature stripe

Patent stripe

patents stripe