CID 1380731

O-ethyl thiocarbanilate

Structural Information

Molecular Formula

SMILES

CCOC(=S)NC1=CC=CC=C1

InChI

InChI=1S/C9H11NOS/c1-2-11-9(12)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,12)

InChIKey

WXNKKAIEQXMTBZ-UHFFFAOYSA-N

Compound name

O-ethyl N-phenylcarbamothioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 96
Patents: 181.05614 Da
Monoisotopic Mass: 2.9
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]+	182.06342	138.1
[M+Na]+	204.04536	149.4
[M+NH4]+	199.08996	147.2
[M+K]+	220.01930	140.9
[M-H]-	180.04886	141.0
[M+Na-2H]-	202.03081	144.7
[M]+	181.05559	140.9
[M]-	181.05669	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe