CID 28937702

1039931-24-2

Structural Information

Molecular Formula

C₁₀H₈Cl₂O₂

SMILES

C1CC1(C2=C(C=CC=C2Cl)Cl)C(=O)O

InChI

InChI=1S/C10H8Cl2O2/c11-6-2-1-3-7(12)8(6)10(4-5-10)9(13)14/h1-3H,4-5H2,(H,13,14)

InChIKey

NXQXLGUJHJYCST-UHFFFAOYSA-N

Compound name

1-(2,6-dichlorophenyl)cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 229.99013 Da
Monoisotopic Mass: 3.0
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]+	230.99741	137.2
[M+Na]+	252.97935	148.6
[M-H]-	228.98285	143.3
[M+NH4]+	248.02395	153.1
[M+K]+	268.95329	143.5
[M+H-H2O]+	212.98739	134.0
[M+HCOO]-	274.98833	150.6
[M+CH3COO]-	289.00398	187.8
[M+Na-2H]-	250.96480	142.7
[M]+	229.98958	142.4
[M]-	229.99068	142.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.