CID 26263

Ether, butyl 2,2-dichlorocyclopropyl

Structural Information

Molecular Formula

C₇H₁₂Cl₂O

SMILES

CCCCOC1CC1(Cl)Cl

InChI

InChI=1S/C7H12Cl2O/c1-2-3-4-10-6-5-7(6,8)9/h6H,2-5H2,1H3

InChIKey

OAEYPULZIQJLHZ-UHFFFAOYSA-N

Compound name

2-butoxy-1,1-dichlorocyclopropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.02652 Da
Monoisotopic Mass: 2.7
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]+	183.033796	131.6
[M+Na]+	205.015738	142.3
[M-H]-	181.019244	135.6
[M+NH4]+	200.060343	150.1
[M+K]+	220.989678	138.6
[M+H-H2O]+	165.023780	128.7
[M+HCOO]-	227.024721	145.9
[M+CH3COO]-	241.040371	183.4
[M+Na-2H]-	203.001186	138.1
[M]+	182.02597142	138.6
[M]-	182.02706858	138.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.