CID 91658

55701-05-8

Structural Information

Molecular Formula

C₈H₁₀Cl₂O₂

SMILES

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

InChI

InChI=1S/C8H10Cl2O2/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3,(H,11,12)

InChIKey

LLMLSUSAKZVFOA-UHFFFAOYSA-N

Compound name

3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 34
References: 3948
Patents: 208.00578 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]+	209.01306	137.4
[M+Na]+	230.99500	150.3
[M+NH4]+	226.03960	147.0
[M+K]+	246.96894	144.9
[M-H]-	206.99850	143.8
[M+Na-2H]-	228.98045	145.0
[M]+	208.00523	142.7
[M]-	208.00633	142.7

Literature stripe

literature stripe

Patent stripe

patents stripe