CID 4102910

Thiourea, n-ethyl-n'-(2-fluorophenyl)-

Structural Information

Molecular Formula

C₉H₁₁FN₂S

SMILES

CCNC(=S)NC1=CC=CC=C1F

InChI

InChI=1S/C9H11FN2S/c1-2-11-9(13)12-8-6-4-3-5-7(8)10/h3-6H,2H2,1H3,(H2,11,12,13)

InChIKey

HFCRLSLRGLNPDK-UHFFFAOYSA-N

Compound name

1-ethyl-3-(2-fluorophenyl)thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 198.0627 Da
Monoisotopic Mass: 1.8
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]+	199.06998	140.4
[M+Na]+	221.05192	150.2
[M+NH4]+	216.09652	148.6
[M+K]+	237.02586	142.0
[M-H]-	197.05542	142.4
[M+Na-2H]-	219.03737	146.3
[M]+	198.06215	142.6
[M]-	198.06325	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe