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

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe