CID 10857676

134818-68-1

Structural Information

Molecular Formula

C₁₂H₁₂Cl₂O

SMILES

C1CC1(C2(CO2)CC3=CC=CC=C3Cl)Cl

InChI

InChI=1S/C12H12Cl2O/c13-10-4-2-1-3-9(10)7-12(8-15-12)11(14)5-6-11/h1-4H,5-8H2

InChIKey

IKKKLHQSHUAIMM-UHFFFAOYSA-N

Compound name

2-(1-chlorocyclopropyl)-2-[(2-chlorophenyl)methyl]oxirane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 111
Patents: 242.02652 Da
Monoisotopic Mass: 3.3
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]+	243.033796	149.5
[M+Na]+	265.015738	157.7
[M-H]-	241.019244	158.6
[M+NH4]+	260.060343	158.9
[M+K]+	280.989678	158.5
[M+H-H2O]+	225.023780	145.4
[M+HCOO]-	287.024721	160.3
[M+CH3COO]-	301.040371	160.0
[M+Na-2H]-	263.001186	155.2
[M]+	242.02597142	156.5
[M]-	242.02706858	156.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe