CID 115028114

1-ethyl-5-fluoro-1h-pyrazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C5H6ClFN2O2S
SMILES
CCN1C(=C(C=N1)S(=O)(=O)Cl)F
InChI
InChI=1S/C5H6ClFN2O2S/c1-2-9-5(7)4(3-8-9)12(6,10)11/h3H,2H2,1H3
InChIKey
LZDZVRXOUZAYNY-UHFFFAOYSA-N
Compound name
1-ethyl-5-fluoropyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

211.98225 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.989526 137.3
[M+Na]+ 234.971468 149.8
[M-H]- 210.974974 138.3
[M+NH4]+ 230.016073 157.1
[M+K]+ 250.945408 146.1
[M+H-H2O]+ 194.979510 131.5
[M+HCOO]- 256.980451 149.5
[M+CH3COO]- 270.996101 180.1
[M+Na-2H]- 232.956916 139.8
[M]+ 211.98170142 141.8
[M]- 211.98279858 141.8
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