CID 84806616

4-bromo-1-methyl-1h-1,2,3-triazole-5-sulfonyl chloride

Structural Information

Molecular Formula
C3H3BrClN3O2S
SMILES
CN1C(=C(N=N1)Br)S(=O)(=O)Cl
InChI
InChI=1S/C3H3BrClN3O2S/c1-8-3(11(5,9)10)2(4)6-7-8/h1H3
InChIKey
VHYXGVXXJULRJF-UHFFFAOYSA-N
Compound name
5-bromo-3-methyltriazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.88177 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.88905 139.2
[M+Na]+ 281.87099 142.0
[M+NH4]+ 276.91559 142.6
[M+K]+ 297.84493 143.7
[M-H]- 257.87449 136.4
[M+Na-2H]- 279.85644 140.6
[M]+ 258.88122 138.1
[M]- 258.88232 138.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.