CID 108413

60066-84-4

Structural Information

Molecular Formula

C₁₀H₁₅Cl₃O₂

SMILES

CCOC(=O)C1C(C1(C)C)CC(Cl)(Cl)Cl

InChI

InChI=1S/C10H15Cl3O2/c1-4-15-8(14)7-6(9(7,2)3)5-10(11,12)13/h6-7H,4-5H2,1-3H3

InChIKey

BFRKWUSVYDWEBX-UHFFFAOYSA-N

Compound name

ethyl 2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 272.01376 Da
Monoisotopic Mass: 3.9
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]+	273.02104	148.2
[M+Na]+	295.00298	158.5
[M-H]-	271.00648	151.3
[M+NH4]+	290.04758	163.6
[M+K]+	310.97692	153.8
[M+H-H2O]+	255.01102	146.6
[M+HCOO]-	317.01196	154.5
[M+CH3COO]-	331.02761	198.7
[M+Na-2H]-	292.98843	151.4
[M]+	272.01321	156.0
[M]-	272.01431	156.0

Literature stripe

literature stripe

Patent stripe

patents stripe