CID 60912374

1-(2-methoxyethyl)-3,5-dimethyl-1h-pyrazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C8H13ClN2O3S
SMILES
CC1=C(C(=NN1CCOC)C)S(=O)(=O)Cl
InChI
InChI=1S/C8H13ClN2O3S/c1-6-8(15(9,12)13)7(2)11(10-6)4-5-14-3/h4-5H2,1-3H3
InChIKey
MPAOKWAEHWIBKZ-UHFFFAOYSA-N
Compound name
1-(2-methoxyethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.03354 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.04082 151.6
[M+Na]+ 275.02276 163.5
[M-H]- 251.02626 154.0
[M+NH4]+ 270.06736 170.2
[M+K]+ 290.99670 160.0
[M+H-H2O]+ 235.03080 146.5
[M+HCOO]- 297.03174 164.2
[M+CH3COO]- 311.04739 189.6
[M+Na-2H]- 273.00821 152.8
[M]+ 252.03299 160.2
[M]- 252.03409 160.2
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.