CID 137944399

3-ethoxypyridine-2-sulfonyl fluoride

Structural Information

Molecular Formula
C7H8FNO3S
SMILES
CCOC1=C(N=CC=C1)S(=O)(=O)F
InChI
InChI=1S/C7H8FNO3S/c1-2-12-6-4-3-5-9-7(6)13(8,10)11/h3-5H,2H2,1H3
InChIKey
PIPZIWGAZBGPII-UHFFFAOYSA-N
Compound name
3-ethoxypyridine-2-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.02089 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.028166 137.4
[M+Na]+ 228.010108 147.5
[M-H]- 204.013614 139.1
[M+NH4]+ 223.054713 155.8
[M+K]+ 243.984048 145.1
[M+H-H2O]+ 188.018150 130.5
[M+HCOO]- 250.019091 154.5
[M+CH3COO]- 264.034741 180.3
[M+Na-2H]- 225.995556 142.7
[M]+ 205.02034142 140.9
[M]- 205.02143858 140.9
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.