CID 55280582

1261658-86-9

Structural Information

Molecular Formula
C6H5ClFNO3S
SMILES
COC1=C(C=C(C=N1)S(=O)(=O)Cl)F
InChI
InChI=1S/C6H5ClFNO3S/c1-12-6-5(8)2-4(3-9-6)13(7,10)11/h2-3H,1H3
InChIKey
PLAQCYQZLJCFSN-UHFFFAOYSA-N
Compound name
5-fluoro-6-methoxypyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.96626 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.97354 136.8
[M+Na]+ 247.95548 148.7
[M-H]- 223.95898 139.1
[M+NH4]+ 243.00008 155.5
[M+K]+ 263.92942 145.0
[M+H-H2O]+ 207.96352 131.2
[M+HCOO]- 269.96446 149.7
[M+CH3COO]- 283.98011 182.3
[M+Na-2H]- 245.94093 141.7
[M]+ 224.96571 142.1
[M]- 224.96681 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.