CID 27363

Butanedioic acid, 2,2-dichloro-

Structural Information

Molecular Formula

C₄H₄Cl₂O₄

SMILES

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

InChI

InChI=1S/C4H4Cl2O4/c5-4(6,3(9)10)1-2(7)8/h1H2,(H,7,8)(H,9,10)

InChIKey

UEVIZXHPBOZANV-UHFFFAOYSA-N

Compound name

2,2-dichlorobutanedioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1228
Patents: 185.94867 Da
Monoisotopic Mass: 0.5
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]+	186.955946	127.6
[M+Na]+	208.937888	136.4
[M-H]-	184.941394	125.5
[M+NH4]+	203.982493	147.2
[M+K]+	224.911828	133.0
[M+H-H2O]+	168.945930	126.4
[M+HCOO]-	230.946871	137.7
[M+CH3COO]-	244.962521	172.9
[M+Na-2H]-	206.923336	132.3
[M]+	185.94812142	129.7
[M]-	185.94921858	129.7

Literature stripe

literature stripe

Patent stripe

patents stripe