CID 138039588

3-chloro-2-methoxypyridine-4-sulfonyl fluoride

Structural Information

Molecular Formula
C6H5ClFNO3S
SMILES
COC1=NC=CC(=C1Cl)S(=O)(=O)F
InChI
InChI=1S/C6H5ClFNO3S/c1-12-6-5(7)4(2-3-9-6)13(8,10)11/h2-3H,1H3
InChIKey
BSAIDMDRBUATNT-UHFFFAOYSA-N
Compound name
3-chloro-2-methoxypyridine-4-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.96626 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.973536 136.8
[M+Na]+ 247.955478 148.7
[M-H]- 223.958984 139.1
[M+NH4]+ 243.000083 155.5
[M+K]+ 263.929418 145.0
[M+H-H2O]+ 207.963520 131.2
[M+HCOO]- 269.964461 149.7
[M+CH3COO]- 283.980111 182.3
[M+Na-2H]- 245.940926 141.7
[M]+ 224.96571142 142.1
[M]- 224.96680858 142.1
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.