CID 165990902

2-bromo-6-methanesulfonylpyrazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C7H6BrN3O2S
SMILES
CS(=O)(=O)C1=CN2C(=CC(=N2)Br)N=C1
InChI
InChI=1S/C7H6BrN3O2S/c1-14(12,13)5-3-9-7-2-6(8)10-11(7)4-5/h2-4H,1H3
InChIKey
UUSTVRCIUCQCNB-UHFFFAOYSA-N
Compound name
2-bromo-6-methylsulfonylpyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.9364 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.94368 139.2
[M+Na]+ 297.92562 156.3
[M-H]- 273.92912 144.6
[M+NH4]+ 292.97022 159.6
[M+K]+ 313.89956 144.9
[M+H-H2O]+ 257.93366 140.1
[M+HCOO]- 319.93460 155.2
[M+CH3COO]- 333.95025 189.6
[M+Na-2H]- 295.91107 147.9
[M]+ 274.93585 163.6
[M]- 274.93695 163.6
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.