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]+ 235.96913 141.4
[M+Na]+ 257.95107 156.3
[M-H]- 233.95457 142.6
[M+NH4]+ 252.99567 160.1
[M+K]+ 273.92501 151.5
[M+H-H2O]+ 217.95911 135.0
[M+HCOO]- 279.96005 153.6
[M+CH3COO]- 293.97570 183.1
[M+Na-2H]- 255.93652 147.5
[M]+ 234.96130 147.5
[M]- 234.96240 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.