CID 137698796

5-methylfuran-2-sulfonyl fluoride

Structural Information

Molecular Formula
C5H5FO3S
SMILES
CC1=CC=C(O1)S(=O)(=O)F
InChI
InChI=1S/C5H5FO3S/c1-4-2-3-5(9-4)10(6,7)8/h2-3H,1H3
InChIKey
GFHJCNFGQHXKFJ-UHFFFAOYSA-N
Compound name
5-methylfuran-2-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.99434 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.00162 125.7
[M+Na]+ 186.98356 136.8
[M-H]- 162.98706 130.0
[M+NH4]+ 182.02816 147.8
[M+K]+ 202.95750 136.5
[M+H-H2O]+ 146.99160 121.0
[M+HCOO]- 208.99254 144.8
[M+CH3COO]- 223.00819 171.7
[M+Na-2H]- 184.96901 130.8
[M]+ 163.99379 129.4
[M]- 163.99489 129.4
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.