CID 17024580

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

Structural Information

Molecular Formula
C6H9ClN2O2S
SMILES
CCN1C=C(C(=N1)C)S(=O)(=O)Cl
InChI
InChI=1S/C6H9ClN2O2S/c1-3-9-4-6(5(2)8-9)12(7,10)11/h4H,3H2,1-2H3
InChIKey
CIMPNTHRHLIUSL-UHFFFAOYSA-N
Compound name
1-ethyl-3-methylpyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

208.00732 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.014596 140.4
[M+Na]+ 230.996538 152.5
[M-H]- 207.000044 142.8
[M+NH4]+ 226.041143 160.5
[M+K]+ 246.970478 149.0
[M+H-H2O]+ 191.004580 135.4
[M+HCOO]- 253.005521 153.4
[M+CH3COO]- 267.021171 180.4
[M+Na-2H]- 228.981986 142.9
[M]+ 208.00677142 146.4
[M]- 208.00786858 146.4
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