CID 122235983

2-methoxy-1,3-thiazole-5-sulfonyl fluoride

Structural Information

Molecular Formula
C4H4FNO3S2
SMILES
COC1=NC=C(S1)S(=O)(=O)F
InChI
InChI=1S/C4H4FNO3S2/c1-9-4-6-2-3(10-4)11(5,7)8/h2H,1H3
InChIKey
SHCGQBFHBGEDAA-UHFFFAOYSA-N
Compound name
2-methoxy-1,3-thiazole-5-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.96167 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.968946 134.5
[M+Na]+ 219.950888 145.9
[M-H]- 195.954394 136.5
[M+NH4]+ 214.995493 155.2
[M+K]+ 235.924828 143.2
[M+H-H2O]+ 179.958930 128.8
[M+HCOO]- 241.959871 147.7
[M+CH3COO]- 255.975521 176.4
[M+Na-2H]- 217.936336 136.5
[M]+ 196.96112142 138.6
[M]- 196.96221858 138.6
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.