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]+ 227.005186 141.1
[M+Na]+ 248.987128 152.9
[M-H]- 224.990634 142.1
[M+NH4]+ 244.031733 160.3
[M+K]+ 264.961068 149.4
[M+H-H2O]+ 208.995170 135.3
[M+HCOO]- 270.996111 152.1
[M+CH3COO]- 285.011761 183.9
[M+Na-2H]- 246.972576 142.2
[M]+ 225.99736142 145.5
[M]- 225.99845858 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.