CID 145915744

2384522-64-7

Structural Information

Molecular Formula
C5H6Cl2N2O2S
SMILES
CN1C(=C(C=N1)S(=O)(=O)Cl)CCl
InChI
InChI=1S/C5H6Cl2N2O2S/c1-9-4(2-6)5(3-8-9)12(7,10)11/h3H,2H2,1H3
InChIKey
AYSYMRGCYALSJK-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-1-methylpyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.9527 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.95998 142.2
[M+Na]+ 250.94192 154.7
[M-H]- 226.94542 144.1
[M+NH4]+ 245.98652 161.8
[M+K]+ 266.91586 150.3
[M+H-H2O]+ 210.94996 137.8
[M+HCOO]- 272.95090 150.3
[M+CH3COO]- 286.96655 182.2
[M+Na-2H]- 248.92737 144.4
[M]+ 227.95215 148.3
[M]- 227.95325 148.3
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.