CID 3033993

Loflucarban

Structural Information

Molecular Formula

C₁₃H₉Cl₂FN₂S

SMILES

C1=CC(=CC=C1NC(=S)NC2=CC(=CC(=C2)Cl)Cl)F

InChI

InChI=1S/C13H9Cl2FN2S/c14-8-5-9(15)7-12(6-8)18-13(19)17-11-3-1-10(16)2-4-11/h1-7H,(H2,17,18,19)

InChIKey

ZHNUMLOCJMCLIT-UHFFFAOYSA-N

Compound name

1-(3,5-dichlorophenyl)-3-(4-fluorophenyl)thiourea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1456
Patents: 313.98474 Da
Monoisotopic Mass: 4.4
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]+	314.992016	163.0
[M+Na]+	336.973958	172.5
[M-H]-	312.977464	168.3
[M+NH4]+	332.018563	179.3
[M+K]+	352.947898	164.3
[M+H-H2O]+	296.982000	156.9
[M+HCOO]-	358.982941	173.1
[M+CH3COO]-	372.998591	174.3
[M+Na-2H]-	334.959406	164.6
[M]+	313.98419142	164.8
[M]-	313.98528858	164.8

Literature stripe

literature stripe

Patent stripe

patents stripe