CID 119096316

3-chloropentanedioyl dichloride

Structural Information

Molecular Formula

C₅H₅Cl₃O₂

SMILES

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

InChI

InChI=1S/C5H5Cl3O2/c6-3(1-4(7)9)2-5(8)10/h3H,1-2H2

InChIKey

CXKPJLROQPSFIR-UHFFFAOYSA-N

Compound name

3-chloropentanedioyl dichloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 201.93552 Da
Monoisotopic Mass: 1.8
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]+	202.942796	132.3
[M+Na]+	224.924738	140.9
[M-H]-	200.928244	131.4
[M+NH4]+	219.969343	152.4
[M+K]+	240.898678	136.9
[M+H-H2O]+	184.932780	131.0
[M+HCOO]-	246.933721	139.7
[M+CH3COO]-	260.949371	183.3
[M+Na-2H]-	222.910186	134.5
[M]+	201.93497142	135.5
[M]-	201.93606858	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.