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]+ 192.01253 132.9
[M+Na]+ 213.99447 143.4
[M-H]- 189.99797 134.8
[M+NH4]+ 209.03907 151.8
[M+K]+ 229.96841 141.2
[M+H-H2O]+ 174.00251 126.2
[M+HCOO]- 236.00345 150.3
[M+CH3COO]- 250.01910 177.3
[M+Na-2H]- 211.97992 138.7
[M]+ 191.00470 136.0
[M]- 191.00580 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.