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

4
Patents

211.98225 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.98953 137.3
[M+Na]+ 234.97147 149.8
[M-H]- 210.97497 138.3
[M+NH4]+ 230.01607 157.1
[M+K]+ 250.94541 146.1
[M+H-H2O]+ 194.97951 131.5
[M+HCOO]- 256.98045 149.5
[M+CH3COO]- 270.99610 180.1
[M+Na-2H]- 232.95692 139.8
[M]+ 211.98170 141.8
[M]- 211.98280 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