CID 135688160

16113-37-4

Structural Information

Molecular Formula

C₁₄H₁₂FN₃OS

SMILES

C1=CC=C(C(=C1)/C=N/NC(=S)NC2=CC=C(C=C2)F)O

InChI

InChI=1S/C14H12FN3OS/c15-11-5-7-12(8-6-11)17-14(20)18-16-9-10-3-1-2-4-13(10)19/h1-9,19H,(H2,17,18,20)/b16-9+

InChIKey

OVCWJVRHOUKGII-CXUHLZMHSA-N

Compound name

1-(4-fluorophenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 289.0685 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]+	290.075776	161.7
[M+Na]+	312.057718	168.2
[M-H]-	288.061224	167.1
[M+NH4]+	307.102323	176.7
[M+K]+	328.031658	162.3
[M+H-H2O]+	272.065760	152.6
[M+HCOO]-	334.066701	182.3
[M+CH3COO]-	348.082351	204.9
[M+Na-2H]-	310.043166	165.3
[M]+	289.06795142	159.7
[M]-	289.06904858	159.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe