CID 15008915

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

Structural Information

Molecular Formula
C4H4BrClN2O2S
SMILES
CN1C(=C(C=N1)S(=O)(=O)Cl)Br
InChI
InChI=1S/C4H4BrClN2O2S/c1-8-4(5)3(2-7-8)11(6,9)10/h2H,1H3
InChIKey
WKSFIUAPEQSZEU-UHFFFAOYSA-N
Compound name
5-bromo-1-methylpyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

257.88654 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.893816 132.6
[M+Na]+ 280.875758 149.5
[M-H]- 256.879264 138.3
[M+NH4]+ 275.920363 154.7
[M+K]+ 296.849698 137.2
[M+H-H2O]+ 240.883800 134.2
[M+HCOO]- 302.884741 144.8
[M+CH3COO]- 316.900391 184.8
[M+Na-2H]- 278.861206 138.6
[M]+ 257.88599142 156.4
[M]- 257.88708858 156.4
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

patents stripe