CID 54593560

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

Structural Information

Molecular Formula
C7H5BrClN3O2S
SMILES
CC1=NN2C=C(C=NC2=C1S(=O)(=O)Cl)Br
InChI
InChI=1S/C7H5BrClN3O2S/c1-4-6(15(9,13)14)7-10-2-5(8)3-12(7)11-4/h2-3H,1H3
InChIKey
NQKSRPHDFALUEC-UHFFFAOYSA-N
Compound name
6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
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References

0
Patents

308.89743 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.90471 149.6
[M+Na]+ 331.88665 154.5
[M+NH4]+ 326.93125 153.6
[M+K]+ 347.86059 154.9
[M-H]- 307.89015 148.0
[M+Na-2H]- 329.87210 152.1
[M]+ 308.89688 149.3
[M]- 308.89798 149.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.