CID 125457677

5-chloropyrazolo[1,5-a]pyrimidine-3-sulfonyl fluoride

Structural Information

Molecular Formula
C6H3ClFN3O2S
SMILES
C1=CN2C(=C(C=N2)S(=O)(=O)F)N=C1Cl
InChI
InChI=1S/C6H3ClFN3O2S/c7-5-1-2-11-6(10-5)4(3-9-11)14(8,12)13/h1-3H
InChIKey
SROGVDAUBOTNMP-UHFFFAOYSA-N
Compound name
5-chloropyrazolo[1,5-a]pyrimidine-3-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.96185 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.969126 141.4
[M+Na]+ 257.951068 156.3
[M-H]- 233.954574 142.6
[M+NH4]+ 252.995673 160.1
[M+K]+ 273.925008 151.5
[M+H-H2O]+ 217.959110 135.0
[M+HCOO]- 279.960051 153.6
[M+CH3COO]- 293.975701 183.1
[M+Na-2H]- 255.936516 147.5
[M]+ 234.96130142 147.5
[M]- 234.96239858 147.5
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.