CID 84032397

4-bromo-1,5-dimethyl-1h-pyrazole-3-sulfonyl chloride

Structural Information

Molecular Formula
C5H6BrClN2O2S
SMILES
CC1=C(C(=NN1C)S(=O)(=O)Cl)Br
InChI
InChI=1S/C5H6BrClN2O2S/c1-3-4(6)5(8-9(3)2)12(7,10)11/h1-2H3
InChIKey
FTPKPJQBHOLRBS-UHFFFAOYSA-N
Compound name
4-bromo-1,5-dimethylpyrazole-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.9022 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.909476 136.5
[M+Na]+ 294.891418 153.7
[M-H]- 270.894924 142.3
[M+NH4]+ 289.936023 158.3
[M+K]+ 310.865358 141.1
[M+H-H2O]+ 254.899460 138.1
[M+HCOO]- 316.900401 148.3
[M+CH3COO]- 330.916051 188.7
[M+Na-2H]- 292.876866 141.4
[M]+ 271.90165142 160.8
[M]- 271.90274858 160.8
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.