CID 105524991

1261858-64-3

Structural Information

Molecular Formula

C₆H₅BrClNO₃S

SMILES

COC1=C(C=C(C=N1)S(=O)(=O)Cl)Br

InChI

InChI=1S/C6H5BrClNO3S/c1-12-6-5(7)2-4(3-9-6)13(8,10)11/h2-3H,1H3

InChIKey

XLFSGBXMEOQXGV-UHFFFAOYSA-N

Compound name

5-bromo-6-methoxypyridine-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 284.8862 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	285.893476	135.2
[M+Na]+	307.875418	150.6
[M-H]-	283.878924	141.7
[M+NH4]+	302.920023	155.5
[M+K]+	323.849358	138.0
[M+H-H2O]+	267.883460	136.7
[M+HCOO]-	329.884401	147.4
[M+CH3COO]-	343.900051	189.7
[M+Na-2H]-	305.860866	142.9
[M]+	284.88565142	159.9
[M]-	284.88674858	159.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.