CID 79237

2-butoxyethyl chloroacetate

Structural Information

Molecular Formula

C₈H₁₅ClO₃

SMILES

CCCCOCCOC(=O)CCl

InChI

InChI=1S/C8H15ClO3/c1-2-3-4-11-5-6-12-8(10)7-9/h2-7H2,1H3

InChIKey

RXRRMKNUVQKPIQ-UHFFFAOYSA-N

Compound name

2-butoxyethyl 2-chloroacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 194.07097 Da
Monoisotopic Mass: 1.8
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]+	195.07825	140.8
[M+Na]+	217.06019	148.2
[M-H]-	193.06369	140.8
[M+NH4]+	212.10479	161.4
[M+K]+	233.03413	146.5
[M+H-H2O]+	177.06823	136.8
[M+HCOO]-	239.06917	159.5
[M+CH3COO]-	253.08482	182.3
[M+Na-2H]-	215.04564	145.3
[M]+	194.07042	147.7
[M]-	194.07152	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe