CID 11315382

59626-33-4

Structural Information

Molecular Formula

C₆H₄Br₃NO₂S

SMILES

C1=CC=NC(=C1)S(=O)(=O)C(Br)(Br)Br

InChI

InChI=1S/C6H4Br3NO2S/c7-6(8,9)13(11,12)5-3-1-2-4-10-5/h1-4H

InChIKey

FRCQMXHPNJVPJC-UHFFFAOYSA-N

Compound name

2-(tribromomethylsulfonyl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 890
Patents: 390.75128 Da
Monoisotopic Mass: 2.9
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]+	391.75856	143.0
[M+Na]+	413.74050	135.8
[M+NH4]+	408.78510	144.0
[M+K]+	429.71444	144.8
[M-H]-	389.74400	144.2
[M+Na-2H]-	411.72595	145.1
[M]+	390.75073	142.2
[M]-	390.75183	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe