CID 116698631

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

Structural Information

Molecular Formula
C5H7ClN2O3S
SMILES
CN1C(=C(C=N1)OC)S(=O)(=O)Cl
InChI
InChI=1S/C5H7ClN2O3S/c1-8-5(12(6,9)10)4(11-2)3-7-8/h3H,1-2H3
InChIKey
LLJYZCGOHOKKQE-UHFFFAOYSA-N
Compound name
4-methoxy-2-methylpyrazole-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.98659 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.99387 138.7
[M+Na]+ 232.97581 151.1
[M-H]- 208.97931 141.3
[M+NH4]+ 228.02041 158.7
[M+K]+ 248.94975 148.3
[M+H-H2O]+ 192.98385 133.9
[M+HCOO]- 254.98479 152.3
[M+CH3COO]- 269.00044 179.5
[M+Na-2H]- 230.96126 141.9
[M]+ 209.98604 145.8
[M]- 209.98714 145.8
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.