CID 60912505

1-(2-methoxyethyl)-1h-pyrazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C6H9ClN2O3S
SMILES
COCCN1C=C(C=N1)S(=O)(=O)Cl
InChI
InChI=1S/C6H9ClN2O3S/c1-12-3-2-9-5-6(4-8-9)13(7,10)11/h4-5H,2-3H2,1H3
InChIKey
DQABRQGINUJMAQ-UHFFFAOYSA-N
Compound name
1-(2-methoxyethyl)pyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.00224 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.00952 143.7
[M+Na]+ 246.99146 154.8
[M-H]- 222.99496 145.7
[M+NH4]+ 242.03606 162.8
[M+K]+ 262.96540 151.8
[M+H-H2O]+ 206.99950 138.3
[M+HCOO]- 269.00044 157.0
[M+CH3COO]- 283.01609 181.3
[M+Na-2H]- 244.97691 147.0
[M]+ 224.00169 150.7
[M]- 224.00279 150.7
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.