CID 105524990

5-bromo-2-methoxypyridine-3-sulfonyl chloride

Structural Information

Molecular Formula
C6H5BrClNO3S
SMILES
COC1=C(C=C(C=N1)Br)S(=O)(=O)Cl
InChI
InChI=1S/C6H5BrClNO3S/c1-12-6-5(13(8,10)11)2-4(7)3-9-6/h2-3H,1H3
InChIKey
HPGXYLFNEUZNHH-UHFFFAOYSA-N
Compound name
5-bromo-2-methoxypyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

284.8862 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.89348 138.3
[M+Na]+ 307.87542 142.4
[M+NH4]+ 302.92002 142.6
[M+K]+ 323.84936 142.0
[M-H]- 283.87892 137.4
[M+Na-2H]- 305.86087 141.8
[M]+ 284.88565 138.1
[M]- 284.88675 138.1
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