CID 131283249

6-bromo-2-methoxypyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride

Structural Information

Molecular Formula
C7H5BrClN3O3S
SMILES
COC1=NN2C=C(C=NC2=C1S(=O)(=O)Cl)Br
InChI
InChI=1S/C7H5BrClN3O3S/c1-15-7-5(16(9,13)14)6-10-2-4(8)3-12(6)11-7/h2-3H,1H3
InChIKey
DKMGFUKUAWNRCD-UHFFFAOYSA-N
Compound name
6-bromo-2-methoxypyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.89236 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.89964 146.1
[M+Na]+ 347.88158 164.3
[M-H]- 323.88508 151.8
[M+NH4]+ 342.92618 165.6
[M+K]+ 363.85552 151.9
[M+H-H2O]+ 307.88962 147.4
[M+HCOO]- 369.89056 157.7
[M+CH3COO]- 383.90621 196.2
[M+Na-2H]- 345.86703 154.2
[M]+ 324.89181 173.6
[M]- 324.89291 173.6
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.