CID 94591

61898-95-1

Structural Information

Molecular Formula

C₉H₁₂Cl₂O₂

SMILES

CC1(C(C1C(=O)OC)C=C(Cl)Cl)C

InChI

InChI=1S/C9H12Cl2O2/c1-9(2)5(4-6(10)11)7(9)8(12)13-3/h4-5,7H,1-3H3

InChIKey

QJOOIMSFFIUFKX-UHFFFAOYSA-N

Compound name

methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 223
Patents: 222.02144 Da
Monoisotopic Mass: 3.6
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]+	223.02872	141.2
[M+Na]+	245.01066	154.3
[M+NH4]+	240.05526	150.9
[M+K]+	260.98460	148.5
[M-H]-	221.01416	148.0
[M+Na-2H]-	242.99611	149.0
[M]+	222.02089	146.6
[M]-	222.02199	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe