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]+ 197.96895 134.5
[M+Na]+ 219.95089 145.9
[M-H]- 195.95439 136.5
[M+NH4]+ 214.99549 155.2
[M+K]+ 235.92483 143.2
[M+H-H2O]+ 179.95893 128.8
[M+HCOO]- 241.95987 147.7
[M+CH3COO]- 255.97552 176.4
[M+Na-2H]- 217.93634 136.5
[M]+ 196.96112 138.6
[M]- 196.96222 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.