CID 165997101

3-iodo-1-methyl-1h-pyrazole-5-sulfonyl chloride

Structural Information

Molecular Formula
C4H4ClIN2O2S
SMILES
CN1C(=CC(=N1)I)S(=O)(=O)Cl
InChI
InChI=1S/C4H4ClIN2O2S/c1-8-4(11(5,9)10)2-3(6)7-8/h2H,1H3
InChIKey
XQOHHYCEAIBUPL-UHFFFAOYSA-N
Compound name
5-iodo-2-methylpyrazole-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.87268 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.87996 140.4
[M+Na]+ 328.86190 146.0
[M-H]- 304.86540 136.3
[M+NH4]+ 323.90650 156.0
[M+K]+ 344.83584 148.5
[M+H-H2O]+ 288.86994 132.2
[M+HCOO]- 350.87088 149.5
[M+CH3COO]- 364.88653 186.0
[M+Na-2H]- 326.84735 132.2
[M]+ 305.87213 143.1
[M]- 305.87323 143.1
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.