CID 11020172

4858-84-8

Structural Information

Molecular Formula

C₆H₈Cl₂N₂O₂

SMILES

C1CN(CCN1C(=O)Cl)C(=O)Cl

InChI

InChI=1S/C6H8Cl2N2O2/c7-5(11)9-1-2-10(4-3-9)6(8)12/h1-4H2

InChIKey

PCABKZLAPFXTND-UHFFFAOYSA-N

Compound name

piperazine-1,4-dicarbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 209.99628 Da
Monoisotopic Mass: 1.1
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]+	211.00356	138.0
[M+Na]+	232.98550	145.6
[M-H]-	208.98900	137.7
[M+NH4]+	228.03010	155.1
[M+K]+	248.95944	142.5
[M+H-H2O]+	192.99354	132.5
[M+HCOO]-	254.99448	145.8
[M+CH3COO]-	269.01013	181.2
[M+Na-2H]-	230.97095	140.7
[M]+	209.99573	136.7
[M]-	209.99683	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe