CID 44558096

6-bromopyridine-2-sulfonyl chloride

Structural Information

Molecular Formula
C5H3BrClNO2S
SMILES
C1=CC(=NC(=C1)Br)S(=O)(=O)Cl
InChI
InChI=1S/C5H3BrClNO2S/c6-4-2-1-3-5(8-4)11(7,9)10/h1-3H
InChIKey
UGUYJEZIJYXIDU-UHFFFAOYSA-N
Compound name
6-bromopyridine-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

254.87564 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.88292 130.8
[M+Na]+ 277.86486 135.2
[M+NH4]+ 272.90946 135.8
[M+K]+ 293.83880 134.4
[M-H]- 253.86836 130.3
[M+Na-2H]- 275.85031 135.1
[M]+ 254.87509 130.8
[M]- 254.87619 130.8
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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