CID 10923739

2,5-dibromothiophene 1,1-dioxide

Structural Information

Molecular Formula

C₄H₂Br₂O₂S

SMILES

C1=C(S(=O)(=O)C(=C1)Br)Br

InChI

InChI=1S/C4H2Br2O2S/c5-3-1-2-4(6)9(3,7)8/h1-2H

InChIKey

LKJJLFANVUXGGB-UHFFFAOYSA-N

Compound name

2,5-dibromothiophene 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 271.81424 Da
Monoisotopic Mass: 2.0
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]+	272.82152	117.8
[M+Na]+	294.80346	133.1
[M-H]-	270.80696	126.3
[M+NH4]+	289.84806	142.0
[M+K]+	310.77740	117.7
[M+H-H2O]+	254.81150	128.3
[M+HCOO]-	316.81244	133.4
[M+CH3COO]-	330.82809	194.8
[M+Na-2H]-	292.78891	125.8
[M]+	271.81369	155.0
[M]-	271.81479	155.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.