CID 132354101

4-formyl-1-methyl-1h-pyrazole-5-sulfonyl chloride

Structural Information

Molecular Formula
C5H5ClN2O3S
SMILES
CN1C(=C(C=N1)C=O)S(=O)(=O)Cl
InChI
InChI=1S/C5H5ClN2O3S/c1-8-5(12(6,10)11)4(3-9)2-7-8/h2-3H,1H3
InChIKey
DXNRFSKKWVFYPL-UHFFFAOYSA-N
Compound name
4-formyl-1-methylpyrazole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.97095 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.978226 138.1
[M+Na]+ 230.960168 150.8
[M-H]- 206.963674 140.6
[M+NH4]+ 226.004773 158.0
[M+K]+ 246.934108 147.4
[M+H-H2O]+ 190.968210 133.3
[M+HCOO]- 252.969151 151.8
[M+CH3COO]- 266.984801 178.6
[M+Na-2H]- 228.945616 141.3
[M]+ 207.97040142 144.4
[M]- 207.97149858 144.4
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

No patent data available for this compound.