CID 167734674

3-bromo-1-ethyl-1h-pyrazole-5-sulfonylchloride

Structural Information

Molecular Formula
C5H6BrClN2O2S
SMILES
CCN1C(=CC(=N1)Br)S(=O)(=O)Cl
InChI
InChI=1S/C5H6BrClN2O2S/c1-2-9-5(12(7,10)11)3-4(6)8-9/h3H,2H2,1H3
InChIKey
BWBVDFVLTQZYRJ-UHFFFAOYSA-N
Compound name
5-bromo-2-ethylpyrazole-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.9022 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.90948 137.1
[M+Na]+ 294.89142 153.6
[M-H]- 270.89492 142.6
[M+NH4]+ 289.93602 158.7
[M+K]+ 310.86536 141.0
[M+H-H2O]+ 254.89946 138.5
[M+HCOO]- 316.90040 149.0
[M+CH3COO]- 330.91605 187.6
[M+Na-2H]- 292.87687 142.6
[M]+ 271.90165 161.2
[M]- 271.90275 161.2
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.