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

9
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 135.2
[M+Na]+ 307.87542 150.6
[M-H]- 283.87892 141.7
[M+NH4]+ 302.92002 155.5
[M+K]+ 323.84936 138.0
[M+H-H2O]+ 267.88346 136.7
[M+HCOO]- 329.88440 147.4
[M+CH3COO]- 343.90005 189.7
[M+Na-2H]- 305.86087 142.9
[M]+ 284.88565 159.9
[M]- 284.88675 159.9
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