CID 15158648

128852-14-2

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 144.0
[M+Na]+ 316.86452 161.4
[M-H]- 292.86802 153.8
[M+NH4]+ 311.90912 167.0
[M+K]+ 332.83846 149.8
[M+H-H2O]+ 276.87256 147.1
[M+HCOO]- 338.87350 158.1
[M+CH3COO]- 352.88915 190.2
[M+Na-2H]- 314.84997 152.8
[M]+ 293.87475 170.8
[M]- 293.87585 170.8
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.