CID 80694809

1-(2-fluoroethyl)-1h-pyrazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C5H6ClFN2O2S
SMILES
C1=C(C=NN1CCF)S(=O)(=O)Cl
InChI
InChI=1S/C5H6ClFN2O2S/c6-12(10,11)5-3-8-9(4-5)2-1-7/h3-4H,1-2H2
InChIKey
PQBTVMMMQLFQEY-UHFFFAOYSA-N
Compound name
1-(2-fluoroethyl)pyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

211.98225 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.98953 137.7
[M+Na]+ 234.97147 149.4
[M-H]- 210.97497 138.4
[M+NH4]+ 230.01607 157.2
[M+K]+ 250.94541 145.7
[M+H-H2O]+ 194.97951 131.5
[M+HCOO]- 256.98045 150.0
[M+CH3COO]- 270.99610 178.9
[M+Na-2H]- 232.95692 140.8
[M]+ 211.98170 141.9
[M]- 211.98280 141.9
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