CID 11266492

25373-20-0

Structural Information

Molecular Formula

C₆H₂Br₂O₂S

SMILES

C(=O)C1=C(C(=C(S1)C=O)Br)Br

InChI

InChI=1S/C6H2Br2O2S/c7-5-3(1-9)11-4(2-10)6(5)8/h1-2H

InChIKey

UIIQKZFRHPLSLU-UHFFFAOYSA-N

Compound name

3,4-dibromothiophene-2,5-dicarbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 295.81424 Da
Monoisotopic Mass: 2.6
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]+	296.82152	127.3
[M+Na]+	318.80346	141.9
[M-H]-	294.80696	135.5
[M+NH4]+	313.84806	149.2
[M+K]+	334.77740	125.9
[M+H-H2O]+	278.81150	136.3
[M+HCOO]-	340.81244	142.2
[M+CH3COO]-	354.82809	200.4
[M+Na-2H]-	316.78891	132.6
[M]+	295.81369	164.6
[M]-	295.81479	164.6

Literature stripe

literature stripe

Patent stripe

patents stripe