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

18
Patents

233.95537 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.96265 140.3
[M+Na]+ 256.94459 154.4
[M-H]- 232.94809 146.2
[M+NH4]+ 251.98919 162.0
[M+K]+ 272.91853 150.9
[M+H-H2O]+ 216.95263 136.5
[M+HCOO]- 278.95357 155.3
[M+CH3COO]- 292.96922 182.9
[M+Na-2H]- 254.93004 147.0
[M]+ 233.95482 148.0
[M]- 233.95592 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