CID 20623924

5-bromo-4-chlorothiophene-2-sulfonyl chloride

Structural Information

Molecular Formula
C4HBrCl2O2S2
SMILES
C1=C(SC(=C1Cl)Br)S(=O)(=O)Cl
InChI
InChI=1S/C4HBrCl2O2S2/c5-4-2(6)1-3(10-4)11(7,8)9/h1H
InChIKey
BOTXTRFDSZKAKX-UHFFFAOYSA-N
Compound name
5-bromo-4-chlorothiophene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

293.79785 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.805126 134.8
[M+Na]+ 316.787068 152.0
[M-H]- 292.790574 142.8
[M+NH4]+ 311.831673 158.5
[M+K]+ 332.761008 137.5
[M+H-H2O]+ 276.795110 138.8
[M+HCOO]- 338.796051 139.5
[M+CH3COO]- 352.811701 188.8
[M+Na-2H]- 314.772516 138.8
[M]+ 293.79730142 158.5
[M]- 293.79839858 158.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe