CID 101094

59609-49-3

Structural Information

Molecular Formula

C₁₀H₁₄Cl₂O₂

SMILES

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

InChI

InChI=1S/C10H14Cl2O2/c1-4-14-9(13)8-6(5-7(11)12)10(8,2)3/h5-6,8H,4H2,1-3H3

InChIKey

QPTWKDNRYCGMJM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 176
Patents: 236.03708 Da
Monoisotopic Mass: 4.0
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]+	237.04436	142.8
[M+Na]+	259.02630	153.4
[M-H]-	235.02980	147.1
[M+NH4]+	254.07090	159.5
[M+K]+	275.00024	148.9
[M+H-H2O]+	219.03434	140.5
[M+HCOO]-	281.03528	155.1
[M+CH3COO]-	295.05093	193.3
[M+Na-2H]-	257.01175	145.2
[M]+	236.03653	150.3
[M]-	236.03763	150.3

Literature stripe

literature stripe

Patent stripe

patents stripe