CID 165891198

En300-39844921

Structural Information

Molecular Formula
C6H2Cl3N3O2S
SMILES
C1=C(N2C(=C(C=N2)S(=O)(=O)Cl)N=C1Cl)Cl
InChI
InChI=1S/C6H2Cl3N3O2S/c7-4-1-5(8)12-6(11-4)3(2-10-12)15(9,13)14/h1-2H
InChIKey
FZTZPZCEDCTGMD-UHFFFAOYSA-N
Compound name
5,7-dichloropyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.89334 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.90062 152.1
[M+Na]+ 307.88256 166.9
[M-H]- 283.88606 153.2
[M+NH4]+ 302.92716 169.2
[M+K]+ 323.85650 161.5
[M+H-H2O]+ 267.89060 147.3
[M+HCOO]- 329.89154 154.4
[M+CH3COO]- 343.90719 164.5
[M+Na-2H]- 305.86801 155.9
[M]+ 284.89279 159.5
[M]- 284.89389 159.5
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.