CID 134184417

(6-bromopyridin-2-yl)(imino)methyl-lambda6-sulfanone

Structural Information

Molecular Formula

C₆H₇BrN₂OS

SMILES

CS(=N)(=O)C1=NC(=CC=C1)Br

InChI

InChI=1S/C6H7BrN2OS/c1-11(8,10)6-4-2-3-5(7)9-6/h2-4,8H,1H3

InChIKey

AQIBLVZKUWEOEN-UHFFFAOYSA-N

Compound name

(6-bromopyridin-2-yl)-imino-methyl-oxo-lambda6-sulfane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 233.94624 Da
Monoisotopic Mass: 2.7
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]+	234.95352	129.2
[M+Na]+	256.93546	132.1
[M+NH4]+	251.98006	133.9
[M+K]+	272.90940	131.8
[M-H]-	232.93896	129.3
[M+Na-2H]-	254.92091	133.5
[M]+	233.94569	128.8
[M]-	233.94679	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe