CID 165703383

2-(1h-1,2,4-triazol-1-yl)ethane-1-sulfonyl fluoride

Structural Information

Molecular Formula
C4H6FN3O2S
SMILES
C1=NN(C=N1)CCS(=O)(=O)F
InChI
InChI=1S/C4H6FN3O2S/c5-11(9,10)2-1-8-4-6-3-7-8/h3-4H,1-2H2
InChIKey
YZCWROQFKCJKKL-UHFFFAOYSA-N
Compound name
2-(1,2,4-triazol-1-yl)ethanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

179.01648 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.023756 132.2
[M+Na]+ 202.005698 143.0
[M-H]- 178.009204 131.3
[M+NH4]+ 197.050303 150.6
[M+K]+ 217.979638 141.2
[M+H-H2O]+ 162.013740 124.7
[M+HCOO]- 224.014681 148.3
[M+CH3COO]- 238.030331 173.9
[M+Na-2H]- 199.991146 136.7
[M]+ 179.01593142 134.5
[M]- 179.01702858 134.5
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

patents stripe