CID 12842469

[4-(phenylsulfanyl)phenyl]methanamine

Structural Information

Molecular Formula

C₁₃H₁₃NS

SMILES

C1=CC=C(C=C1)SC2=CC=C(C=C2)CN

InChI

InChI=1S/C13H13NS/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H,10,14H2

InChIKey

OEDXLXUXHSCZKP-UHFFFAOYSA-N

Compound name

(4-phenylsulfanylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 215.07687 Da
Monoisotopic Mass: 2.8
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]+	216.08415	145.5
[M+Na]+	238.06609	160.0
[M+NH4]+	233.11069	156.1
[M+K]+	254.04003	149.3
[M-H]-	214.06959	152.0
[M+Na-2H]-	236.05154	155.9
[M]+	215.07632	150.1
[M]-	215.07742	150.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe