CID 65459759

1-(cyclobutylmethyl)-1h-pyrazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C8H11ClN2O2S
SMILES
C1CC(C1)CN2C=C(C=N2)S(=O)(=O)Cl
InChI
InChI=1S/C8H11ClN2O2S/c9-14(12,13)8-4-10-11(6-8)5-7-2-1-3-7/h4,6-7H,1-3,5H2
InChIKey
ILZHLWXKMUQILK-UHFFFAOYSA-N
Compound name
1-(cyclobutylmethyl)pyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.02298 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.03026 139.7
[M+Na]+ 257.01220 147.7
[M-H]- 233.01570 143.8
[M+NH4]+ 252.05680 151.6
[M+K]+ 272.98614 146.9
[M+H-H2O]+ 217.02024 128.3
[M+HCOO]- 279.02118 150.6
[M+CH3COO]- 293.03683 186.7
[M+Na-2H]- 254.99765 141.9
[M]+ 234.02243 151.7
[M]- 234.02353 151.7
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.