CID 83896263

5-fluoro-1-benzofuran-2-sulfonyl chloride

Structural Information

Molecular Formula
C8H4ClFO3S
SMILES
C1=CC2=C(C=C1F)C=C(O2)S(=O)(=O)Cl
InChI
InChI=1S/C8H4ClFO3S/c9-14(11,12)8-4-5-3-6(10)1-2-7(5)13-8/h1-4H
InChIKey
DXAKWTAOEKKQKO-UHFFFAOYSA-N
Compound name
5-fluoro-1-benzofuran-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

233.95537 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.962646 140.3
[M+Na]+ 256.944588 154.4
[M-H]- 232.948094 146.2
[M+NH4]+ 251.989193 162.0
[M+K]+ 272.918528 150.9
[M+H-H2O]+ 216.952630 136.5
[M+HCOO]- 278.953571 155.3
[M+CH3COO]- 292.969221 182.9
[M+Na-2H]- 254.930036 147.0
[M]+ 233.95482142 148.0
[M]- 233.95591858 148.0
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

patents stripe