CID 132343721

3-cyclopentyl-1-methyl-1h-pyrazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C9H13ClN2O2S
SMILES
CN1C=C(C(=N1)C2CCCC2)S(=O)(=O)Cl
InChI
InChI=1S/C9H13ClN2O2S/c1-12-6-8(15(10,13)14)9(11-12)7-4-2-3-5-7/h6-7H,2-5H2,1H3
InChIKey
HSMBDTDYMBRLKC-UHFFFAOYSA-N
Compound name
3-cyclopentyl-1-methylpyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.03862 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.04590 155.6
[M+Na]+ 271.02784 166.0
[M-H]- 247.03134 160.8
[M+NH4]+ 266.07244 175.5
[M+K]+ 287.00178 162.3
[M+H-H2O]+ 231.03588 150.0
[M+HCOO]- 293.03682 167.3
[M+CH3COO]- 307.05247 186.0
[M+Na-2H]- 269.01329 154.6
[M]+ 248.03807 158.6
[M]- 248.03917 158.6
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.