CID 15158648

3-bromo-1-benzofuran-2-sulfonyl chloride

Structural Information

Molecular Formula
C8H4BrClO3S
SMILES
C1=CC=C2C(=C1)C(=C(O2)S(=O)(=O)Cl)Br
InChI
InChI=1S/C8H4BrClO3S/c9-7-5-3-1-2-4-6(5)13-8(7)14(10,11)12/h1-4H
InChIKey
HWALYCVZMTVWKQ-UHFFFAOYSA-N
Compound name
3-bromo-1-benzofuran-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.8753 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.88258 142.4
[M+Na]+ 316.86452 147.3
[M+NH4]+ 311.90912 147.9
[M+K]+ 332.83846 147.6
[M-H]- 292.86802 143.5
[M+Na-2H]- 314.84997 145.5
[M]+ 293.87475 143.0
[M]- 293.87585 143.0
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

No patent data available for this compound.