CID 50896655

1-cyclopentyl-1h-pyrazole-5-sulfonyl chloride

Structural Information

Molecular Formula
C8H11ClN2O2S
SMILES
C1CCC(C1)N2C(=CC=N2)S(=O)(=O)Cl
InChI
InChI=1S/C8H11ClN2O2S/c9-14(12,13)8-5-6-10-11(8)7-3-1-2-4-7/h5-7H,1-4H2
InChIKey
VLHIGJZUQAGHLT-UHFFFAOYSA-N
Compound name
2-cyclopentylpyrazole-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.02298 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.030256 151.5
[M+Na]+ 257.012198 161.5
[M-H]- 233.015704 156.4
[M+NH4]+ 252.056803 171.7
[M+K]+ 272.986138 158.1
[M+H-H2O]+ 217.020240 145.7
[M+HCOO]- 279.021181 163.5
[M+CH3COO]- 293.036831 181.9
[M+Na-2H]- 254.997646 151.5
[M]+ 234.02243142 153.8
[M]- 234.02352858 153.8
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.