CID 71669036

Pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride

Structural Information

Molecular Formula
C6H4ClN3O2S
SMILES
C1=CN2C(=C(C=N2)S(=O)(=O)Cl)N=C1
InChI
InChI=1S/C6H4ClN3O2S/c7-13(11,12)5-4-9-10-3-1-2-8-6(5)10/h1-4H
InChIKey
VXCMOFRNEHXSSS-UHFFFAOYSA-N
Compound name
pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

216.97127 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.97855 140.0
[M+Na]+ 239.96049 154.0
[M-H]- 215.96399 142.2
[M+NH4]+ 235.00509 159.2
[M+K]+ 255.93443 149.7
[M+H-H2O]+ 199.96853 134.2
[M+HCOO]- 261.96947 153.2
[M+CH3COO]- 275.98512 154.1
[M+Na-2H]- 237.94594 147.2
[M]+ 216.97072 146.7
[M]- 216.97182 146.7
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

patents stripe