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]+ 205.03293 137.2
[M+Na]+ 227.01487 146.7
[M-H]- 203.01837 141.5
[M+NH4]+ 222.05947 158.6
[M+K]+ 242.98881 145.5
[M+H-H2O]+ 187.02291 132.5
[M+HCOO]- 249.02385 152.6
[M+CH3COO]- 263.03950 178.9
[M+Na-2H]- 225.00032 142.4
[M]+ 204.02510 138.4
[M]- 204.02620 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.