CID 23330907

2,6-dichlorohexanoic acid

Structural Information

Molecular Formula

C₆H₁₀Cl₂O₂

SMILES

C(CCCl)CC(C(=O)O)Cl

InChI

InChI=1S/C6H10Cl2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4H2,(H,9,10)

InChIKey

MYQBLAFRUNDQIS-UHFFFAOYSA-N

Compound name

2,6-dichlorohexanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 184.00578 Da
Monoisotopic Mass: 2.1
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]+	185.01306	134.0
[M+Na]+	206.99500	144.8
[M+NH4]+	202.03960	141.7
[M+K]+	222.96894	139.3
[M-H]-	182.99850	132.3
[M+Na-2H]-	204.98045	137.1
[M]+	184.00523	135.4
[M]-	184.00633	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe