CID 1487638

2-(4-fluorobenzoyl)hydrazinecarbothioamide

Structural Information

Molecular Formula

C₈H₈FN₃OS

SMILES

C1=CC(=CC=C1C(=O)NNC(=S)N)F

InChI

InChI=1S/C8H8FN3OS/c9-6-3-1-5(2-4-6)7(13)11-12-8(10)14/h1-4H,(H,11,13)(H3,10,12,14)

InChIKey

BOEQIETVMZXIGN-UHFFFAOYSA-N

Compound name

[(4-fluorobenzoyl)amino]thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 213.03722 Da
Monoisotopic Mass: 0.2
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]+	214.04450	142.3
[M+Na]+	236.02644	148.6
[M-H]-	212.02994	144.2
[M+NH4]+	231.07104	160.1
[M+K]+	252.00038	145.0
[M+H-H2O]+	196.03448	134.6
[M+HCOO]-	258.03542	161.4
[M+CH3COO]-	272.05107	190.2
[M+Na-2H]-	234.01189	144.3
[M]+	213.03667	138.4
[M]-	213.03777	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe