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-2-methylpyrazole-3-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]+ 208.97823 138.1
[M+Na]+ 230.96017 150.8
[M-H]- 206.96367 140.6
[M+NH4]+ 226.00477 158.0
[M+K]+ 246.93411 147.4
[M+H-H2O]+ 190.96821 133.3
[M+HCOO]- 252.96915 151.8
[M+CH3COO]- 266.98480 178.6
[M+Na-2H]- 228.94562 141.3
[M]+ 207.97040 144.4
[M]- 207.97150 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.