CID 137963846

5-methoxypyridine-2-sulfonyl fluoride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.00525 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.01253 137.0
[M+Na]+ 213.99447 148.3
[M+NH4]+ 209.03907 143.8
[M+K]+ 229.96841 141.9
[M-H]- 189.99797 135.6
[M+Na-2H]- 211.97992 142.2
[M]+ 191.00470 138.5
[M]- 191.00580 138.5
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.