CID 71756593

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

Structural Information

Molecular Formula
C7H5Cl2N3O2S
SMILES
CC1=NN2C=C(C=NC2=C1Cl)S(=O)(=O)Cl
InChI
InChI=1S/C7H5Cl2N3O2S/c1-4-6(8)7-10-2-5(15(9,13)14)3-12(7)11-4/h2-3H,1H3
InChIKey
MHFZKQRFRQLREC-UHFFFAOYSA-N
Compound name
3-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.94797 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.95525 150.4
[M+Na]+ 287.93719 165.5
[M-H]- 263.94069 152.5
[M+NH4]+ 282.98179 168.6
[M+K]+ 303.91113 160.1
[M+H-H2O]+ 247.94523 145.3
[M+HCOO]- 309.94617 157.9
[M+CH3COO]- 323.96182 189.2
[M+Na-2H]- 285.92264 154.9
[M]+ 264.94742 158.8
[M]- 264.94852 158.8
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.

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No patent data available for this compound.