CID 61394743

1247810-30-5

Structural Information

Molecular Formula
C6H9ClN2O2S
SMILES
CC(C)C1=C(C=NN1)S(=O)(=O)Cl
InChI
InChI=1S/C6H9ClN2O2S/c1-4(2)6-5(3-8-9-6)12(7,10)11/h3-4H,1-2H3,(H,8,9)
InChIKey
IWXGZORVHBWJGH-UHFFFAOYSA-N
Compound name
5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.00732 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.014596 140.8
[M+Na]+ 230.996538 151.3
[M-H]- 207.000044 141.5
[M+NH4]+ 226.041143 159.8
[M+K]+ 246.970478 147.4
[M+H-H2O]+ 191.004580 136.0
[M+HCOO]- 253.005521 151.3
[M+CH3COO]- 267.021171 177.5
[M+Na-2H]- 228.981986 142.5
[M]+ 208.00677142 144.0
[M]- 208.00786858 144.0
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.