CID 132342291

5-bromofuran-2-sulfonyl fluoride

Structural Information

Molecular Formula
C4H2BrFO3S
SMILES
C1=C(OC(=C1)Br)S(=O)(=O)F
InChI
InChI=1S/C4H2BrFO3S/c5-3-1-2-4(9-3)10(6,7)8/h1-2H
InChIKey
BLOOWHYEGMAMPS-UHFFFAOYSA-N
Compound name
5-bromofuran-2-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.8892 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.896476 128.7
[M+Na]+ 250.878418 143.8
[M-H]- 226.881924 135.8
[M+NH4]+ 245.923023 151.9
[M+K]+ 266.852358 134.4
[M+H-H2O]+ 210.886460 129.9
[M+HCOO]- 272.887401 146.1
[M+CH3COO]- 286.903051 179.5
[M+Na-2H]- 248.863866 136.0
[M]+ 227.88865142 150.5
[M]- 227.88974858 150.5
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

No patent data available for this compound.