CID 54593561

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

Structural Information

Molecular Formula
C7H6ClN3O2S
SMILES
CC1=NN2C=CC=NC2=C1S(=O)(=O)Cl
InChI
InChI=1S/C7H6ClN3O2S/c1-5-6(14(8,12)13)7-9-3-2-4-11(7)10-5/h2-4H,1H3
InChIKey
KDSQRTBDWXIFFL-UHFFFAOYSA-N
Compound name
2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.98692 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.99420 144.6
[M+Na]+ 253.97614 159.0
[M-H]- 229.97964 147.0
[M+NH4]+ 249.02074 163.6
[M+K]+ 269.95008 154.4
[M+H-H2O]+ 213.98418 139.0
[M+HCOO]- 275.98512 157.4
[M+CH3COO]- 290.00077 183.4
[M+Na-2H]- 251.96159 150.6
[M]+ 230.98637 152.0
[M]- 230.98747 152.0
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.