CID 2758892

35517-93-2

Structural Information

Molecular Formula

C₉H₁₀ClNS

SMILES

CCN(C1=CC=CC=C1)C(=S)Cl

InChI

InChI=1S/C9H10ClNS/c1-2-11(9(10)12)8-6-4-3-5-7-8/h3-7H,2H2,1H3

InChIKey

AYNZSEBRNMKJIC-UHFFFAOYSA-N

Compound name

N-ethyl-N-phenylcarbamothioyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 199.02225 Da
Monoisotopic Mass: 3.3
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]+	200.02953	139.6
[M+Na]+	222.01147	147.3
[M-H]-	198.01497	144.8
[M+NH4]+	217.05607	160.6
[M+K]+	237.98541	143.7
[M+H-H2O]+	182.01951	134.4
[M+HCOO]-	244.02045	154.9
[M+CH3COO]-	258.03610	186.6
[M+Na-2H]-	219.99692	142.5
[M]+	199.02170	142.7
[M]-	199.02280	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe