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]+ 209.01460 140.8
[M+Na]+ 230.99654 151.3
[M-H]- 207.00004 141.5
[M+NH4]+ 226.04114 159.8
[M+K]+ 246.97048 147.4
[M+H-H2O]+ 191.00458 136.0
[M+HCOO]- 253.00552 151.3
[M+CH3COO]- 267.02117 177.5
[M+Na-2H]- 228.98199 142.5
[M]+ 208.00677 144.0
[M]- 208.00787 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.