CID 146075348

4,5,6,7-tetrahydro-1-benzofuran-2-sulfonyl fluoride

Structural Information

Molecular Formula
C8H9FO3S
SMILES
C1CCC2=C(C1)C=C(O2)S(=O)(=O)F
InChI
InChI=1S/C8H9FO3S/c9-13(10,11)8-5-6-3-1-2-4-7(6)12-8/h5H,1-4H2
InChIKey
OLNATVGCUJEHMT-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-1-benzofuran-2-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.02565 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.032926 137.2
[M+Na]+ 227.014868 146.7
[M-H]- 203.018374 141.5
[M+NH4]+ 222.059473 158.6
[M+K]+ 242.988808 145.5
[M+H-H2O]+ 187.022910 132.5
[M+HCOO]- 249.023851 152.6
[M+CH3COO]- 263.039501 178.9
[M+Na-2H]- 225.000316 142.4
[M]+ 204.02510142 138.4
[M]- 204.02619858 138.4
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.