CID 137964715

4-bromo-1h-pyrazole-5-sulfonyl chloride

Structural Information

Molecular Formula
C3H2BrClN2O2S
SMILES
C1=NNC(=C1Br)S(=O)(=O)Cl
InChI
InChI=1S/C3H2BrClN2O2S/c4-2-1-6-7-3(2)10(5,8)9/h1H,(H,6,7)
InChIKey
HLVDQAWIANDTOZ-UHFFFAOYSA-N
Compound name
4-bromo-1H-pyrazole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.8709 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.87818 129.4
[M+Na]+ 266.86012 145.4
[M-H]- 242.86362 133.6
[M+NH4]+ 261.90472 151.1
[M+K]+ 282.83406 132.5
[M+H-H2O]+ 226.86816 131.2
[M+HCOO]- 288.86910 140.5
[M+CH3COO]- 302.88475 178.5
[M+Na-2H]- 264.84557 136.0
[M]+ 243.87035 150.7
[M]- 243.87145 150.7
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.