CID 826620

Vufb 17786

Structural Information

Molecular Formula

C₁₅H₁₆FNS

SMILES

CN(C)CC1=CC=CC=C1SC2=CC=CC=C2F

InChI

InChI=1S/C15H16FNS/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

DGIXGFLLPLFEJD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.09875 Da
Monoisotopic Mass: 3.9
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]+	262.10603	156.6
[M+Na]+	284.08797	164.3
[M-H]-	260.09147	163.5
[M+NH4]+	279.13257	174.4
[M+K]+	300.06191	160.0
[M+H-H2O]+	244.09601	148.0
[M+HCOO]-	306.09695	175.9
[M+CH3COO]-	320.11260	201.9
[M+Na-2H]-	282.07342	158.8
[M]+	261.09820	158.5
[M]-	261.09930	158.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe