CID 2732749

1-(2-(trifluoromethoxy)phenyl)thiourea

Structural Information

Molecular Formula

C₈H₇F₃N₂OS

SMILES

C1=CC=C(C(=C1)NC(=S)N)OC(F)(F)F

InChI

InChI=1S/C8H7F3N2OS/c9-8(10,11)14-6-4-2-1-3-5(6)13-7(12)15/h1-4H,(H3,12,13,15)

InChIKey

HYKOSRYWIURWQI-UHFFFAOYSA-N

Compound name

[2-(trifluoromethoxy)phenyl]thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 28
Patents: 236.02312 Da
Monoisotopic Mass: 2.3
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]+	237.03040	146.9
[M+Na]+	259.01234	153.4
[M+NH4]+	254.05694	152.2
[M+K]+	274.98628	148.0
[M-H]-	235.01584	144.4
[M+Na-2H]-	256.99779	150.2
[M]+	236.02257	147.1
[M]-	236.02367	147.1

Literature stripe

literature stripe

Patent stripe

patents stripe