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 151.5
[M+Na]+ 280.94280 163.9
[M-H]- 256.94630 154.1
[M+NH4]+ 275.98740 169.3
[M+K]+ 296.91674 159.5
[M+H-H2O]+ 240.95084 147.4
[M+HCOO]- 302.95178 158.5
[M+CH3COO]- 316.96743 185.2
[M+Na-2H]- 278.92825 153.5
[M]+ 257.95303 158.4
[M]- 257.95413 158.4
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.