CID 112756776

5-fluoro-1-(propan-2-yl)-1h-pyrazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C6H8ClFN2O2S
SMILES
CC(C)N1C(=C(C=N1)S(=O)(=O)Cl)F
InChI
InChI=1S/C6H8ClFN2O2S/c1-4(2)10-6(8)5(3-9-10)13(7,11)12/h3-4H,1-2H3
InChIKey
HSXKZAOXPJMEIQ-UHFFFAOYSA-N
Compound name
5-fluoro-1-propan-2-ylpyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.99791 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.00519 141.1
[M+Na]+ 248.98713 152.9
[M-H]- 224.99063 142.1
[M+NH4]+ 244.03173 160.3
[M+K]+ 264.96107 149.4
[M+H-H2O]+ 208.99517 135.3
[M+HCOO]- 270.99611 152.1
[M+CH3COO]- 285.01176 183.9
[M+Na-2H]- 246.97258 142.2
[M]+ 225.99736 145.5
[M]- 225.99846 145.5
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

No patent data available for this compound.