CID 137698791

4-methoxypyridine-3-sulfonyl fluoride

Structural Information

Molecular Formula
C6H6FNO3S
SMILES
COC1=C(C=NC=C1)S(=O)(=O)F
InChI
InChI=1S/C6H6FNO3S/c1-11-5-2-3-8-4-6(5)12(7,9)10/h2-4H,1H3
InChIKey
XCKRAPOIBZOMMO-UHFFFAOYSA-N
Compound name
4-methoxypyridine-3-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.00525 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.012526 132.9
[M+Na]+ 213.994468 143.4
[M-H]- 189.997974 134.8
[M+NH4]+ 209.039073 151.8
[M+K]+ 229.968408 141.2
[M+H-H2O]+ 174.002510 126.2
[M+HCOO]- 236.003451 150.3
[M+CH3COO]- 250.019101 177.3
[M+Na-2H]- 211.979916 138.7
[M]+ 191.00470142 136.0
[M]- 191.00579858 136.0
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

No patent data available for this compound.