CID 123176

2892-63-9

Structural Information

Molecular Formula

SMILES

C1(=C(C(=O)C1=O)Cl)Cl

InChI

InChI=1S/C4Cl2O2/c5-1-2(6)4(8)3(1)7

InChIKey

SXOQOOQUBDERIZ-UHFFFAOYSA-N

Compound name

3,4-dichlorocyclobut-3-ene-1,2-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 290
Patents: 149.92754 Da
Monoisotopic Mass: 1.2
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]+	150.93482	109.3
[M+Na]+	172.91676	122.5
[M-H]-	148.92026	113.8
[M+NH4]+	167.96136	126.4
[M+K]+	188.89070	121.1
[M+H-H2O]+	132.92480	102.9
[M+HCOO]-	194.92574	126.6
[M+CH3COO]-	208.94139	176.5
[M+Na-2H]-	170.90221	116.8
[M]+	149.92699	123.5
[M]-	149.92809	123.5

Literature stripe

literature stripe

Patent stripe

patents stripe