CID 125725531

5-iodo-1-methyl-1h-pyrazole-4-sulfonamide

Structural Information

Molecular Formula
C4H6IN3O2S
SMILES
CN1C(=C(C=N1)S(=O)(=O)N)I
InChI
InChI=1S/C4H6IN3O2S/c1-8-4(5)3(2-7-8)11(6,9)10/h2H,1H3,(H2,6,9,10)
InChIKey
IEMWMXIYMXNYLX-UHFFFAOYSA-N
Compound name
5-iodo-1-methylpyrazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.92255 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.92983 144.7
[M+Na]+ 309.91177 148.7
[M-H]- 285.91527 139.8
[M+NH4]+ 304.95637 159.4
[M+K]+ 325.88571 152.2
[M+H-H2O]+ 269.91981 135.3
[M+HCOO]- 331.92075 158.2
[M+CH3COO]- 345.93640 186.3
[M+Na-2H]- 307.89722 135.8
[M]+ 286.92200 144.0
[M]- 286.92310 144.0
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.