CID 63942663

3-bromofuran-2-sulfonyl chloride

Structural Information

Molecular Formula
C4H2BrClO3S
SMILES
C1=COC(=C1Br)S(=O)(=O)Cl
InChI
InChI=1S/C4H2BrClO3S/c5-3-1-2-9-4(3)10(6,7)8/h1-2H
InChIKey
UOXQKPHFCTWWFP-UHFFFAOYSA-N
Compound name
3-bromofuran-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.85966 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.86694 131.4
[M+Na]+ 266.84888 147.4
[M-H]- 242.85238 140.0
[M+NH4]+ 261.89348 155.0
[M+K]+ 282.82282 136.4
[M+H-H2O]+ 226.85692 134.3
[M+HCOO]- 288.85786 145.4
[M+CH3COO]- 302.87351 180.6
[M+Na-2H]- 264.83433 139.0
[M]+ 243.85911 155.8
[M]- 243.86021 155.8
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.