CID 138039643

3-cyclopropyl-1-ethyl-1h-pyrazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C8H11ClN2O2S
SMILES
CCN1C=C(C(=N1)C2CC2)S(=O)(=O)Cl
InChI
InChI=1S/C8H11ClN2O2S/c1-2-11-5-7(14(9,12)13)8(10-11)6-3-4-6/h5-6H,2-4H2,1H3
InChIKey
QTCFOTKUIREOHS-UHFFFAOYSA-N
Compound name
3-cyclopropyl-1-ethylpyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

234.02298 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.03026 149.1
[M+Na]+ 257.01220 161.5
[M-H]- 233.01570 154.6
[M+NH4]+ 252.05680 163.0
[M+K]+ 272.98614 156.1
[M+H-H2O]+ 217.02024 142.9
[M+HCOO]- 279.02118 161.9
[M+CH3COO]- 293.03683 188.0
[M+Na-2H]- 254.99765 150.7
[M]+ 234.02243 156.4
[M]- 234.02353 156.4
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

patents stripe