CID 2308910

101078-48-2

Structural Information

Molecular Formula

C₁₄H₁₂ClNS

SMILES

CC1=CC=C(C=C1)C(=S)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H12ClNS/c1-10-2-4-11(5-3-10)14(17)16-13-8-6-12(15)7-9-13/h2-9H,1H3,(H,16,17)

InChIKey

MVTDYKYUUXHRDB-UHFFFAOYSA-N

Compound name

N-(4-chlorophenyl)-4-methylbenzenecarbothioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 261.0379 Da
Monoisotopic Mass: 4.0
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]+	262.04518	155.3
[M+Na]+	284.02712	164.1
[M-H]-	260.03062	162.4
[M+NH4]+	279.07172	173.4
[M+K]+	300.00106	157.3
[M+H-H2O]+	244.03516	149.3
[M+HCOO]-	306.03610	170.1
[M+CH3COO]-	320.05175	167.8
[M+Na-2H]-	282.01257	157.8
[M]+	261.03735	157.5
[M]-	261.03845	157.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe