CID 85797

3,4-dibromosulfolane

Structural Information

Molecular Formula

C₄H₆Br₂O₂S

SMILES

C1C(C(CS1(=O)=O)Br)Br

InChI

InChI=1S/C4H6Br2O2S/c5-3-1-9(7,8)2-4(3)6/h3-4H,1-2H2

InChIKey

CGWKQCYAMPDEGC-UHFFFAOYSA-N

Compound name

3,4-dibromothiolane 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 142
Patents: 275.84552 Da
Monoisotopic Mass: 1.0
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]+	276.85280	122.5
[M+Na]+	298.83474	136.2
[M-H]-	274.83824	130.4
[M+NH4]+	293.87934	146.4
[M+K]+	314.80868	121.1
[M+H-H2O]+	258.84278	133.0
[M+HCOO]-	320.84372	135.9
[M+CH3COO]-	334.85937	195.3
[M+Na-2H]-	296.82019	129.0
[M]+	275.84497	157.5
[M]-	275.84607	157.5

Literature stripe

literature stripe

Patent stripe

patents stripe