CID 667643

Vufb 17642

Structural Information

Molecular Formula

C₁₅H₁₆ClNS

SMILES

CN(C)CC1=CC=CC=C1SC2=CC=CC=C2Cl

InChI

InChI=1S/C15H16ClNS/c1-17(2)11-12-7-3-5-9-14(12)18-15-10-6-4-8-13(15)16/h3-10H,11H2,1-2H3

InChIKey

CAZPVIDRPGRYIF-UHFFFAOYSA-N

Compound name

1-[2-(2-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 277.06918 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]+	278.07646	160.4
[M+Na]+	300.05840	168.8
[M-H]-	276.06190	168.6
[M+NH4]+	295.10300	178.6
[M+K]+	316.03234	163.3
[M+H-H2O]+	260.06644	153.6
[M+HCOO]-	322.06738	176.2
[M+CH3COO]-	336.08303	202.9
[M+Na-2H]-	298.04385	162.7
[M]+	277.06863	165.5
[M]-	277.06973	165.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe