CID 826530

Vufb 17665

Structural Information

Molecular Formula

C₁₅H₁₆BrNS

SMILES

CN(C)CC1=CC=CC=C1SC2=CC=C(C=C2)Br

InChI

InChI=1S/C15H16BrNS/c1-17(2)11-12-5-3-4-6-15(12)18-14-9-7-13(16)8-10-14/h3-10H,11H2,1-2H3

InChIKey

WFNHVKLFNZTOQI-UHFFFAOYSA-N

Compound name

1-[2-(4-bromophenyl)sulfanylphenyl]-N,N-dimethylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 321.01868 Da
Monoisotopic Mass: 4.5
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]+	322.02596	157.5
[M+Na]+	344.00790	168.4
[M-H]-	320.01140	168.0
[M+NH4]+	339.05250	176.8
[M+K]+	359.98184	156.0
[M+H-H2O]+	304.01594	156.2
[M+HCOO]-	366.01688	175.6
[M+CH3COO]-	380.03253	207.9
[M+Na-2H]-	341.99335	162.1
[M]+	321.01813	179.0
[M]-	321.01923	179.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.