CID 155819678

2470439-35-9

Structural Information

Molecular Formula
C5H7ClN2O4S2
SMILES
CN1C(=C(C=N1)S(=O)(=O)Cl)S(=O)(=O)C
InChI
InChI=1S/C5H7ClN2O4S2/c1-8-5(13(2,9)10)4(3-7-8)14(6,11)12/h3H,1-2H3
InChIKey
GZIHMMILLXMOIV-UHFFFAOYSA-N
Compound name
1-methyl-5-methylsulfonylpyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.95358 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.96086 158.9
[M+Na]+ 280.94280 168.5
[M+NH4]+ 275.98740 164.3
[M+K]+ 296.91674 163.2
[M-H]- 256.94630 156.0
[M+Na-2H]- 278.92825 160.1
[M]+ 257.95303 160.3
[M]- 257.95413 160.3
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.