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]+ 265.955246 150.4
[M+Na]+ 287.937188 165.5
[M-H]- 263.940694 152.5
[M+NH4]+ 282.981793 168.6
[M+K]+ 303.911128 160.1
[M+H-H2O]+ 247.945230 145.3
[M+HCOO]- 309.946171 157.9
[M+CH3COO]- 323.961821 189.2
[M+Na-2H]- 285.922636 154.9
[M]+ 264.94742142 158.8
[M]- 264.94851858 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.

Patent stripe

No patent data available for this compound.