CID 118998786

1-bromo-4-(ethylsulfonimidoyl)benzene

Structural Information

Molecular Formula

C₈H₁₀BrNOS

SMILES

CCS(=N)(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C8H10BrNOS/c1-2-12(10,11)8-5-3-7(9)4-6-8/h3-6,10H,2H2,1H3

InChIKey

YZMQJOMQKHVCPJ-UHFFFAOYSA-N

Compound name

(4-bromophenyl)-ethyl-imino-oxo-lambda6-sulfane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 246.96664 Da
Monoisotopic Mass: 3.5
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]+	247.97392	135.7
[M+Na]+	269.95586	148.1
[M-H]-	245.95936	142.5
[M+NH4]+	265.00046	157.3
[M+K]+	285.92980	135.4
[M+H-H2O]+	229.96390	136.0
[M+HCOO]-	291.96484	153.1
[M+CH3COO]-	305.98049	188.9
[M+Na-2H]-	267.94131	143.1
[M]+	246.96609	155.1
[M]-	246.96719	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe