CID 4163404

Gnf-pf-81

Structural Information

Molecular Formula

C₁₄H₉Cl₂F₃N₂O

SMILES

C1=CC(=CC(=C1)NC(=O)NC2=CC(=CC(=C2)Cl)Cl)C(F)(F)F

InChI

InChI=1S/C14H9Cl2F3N2O/c15-9-5-10(16)7-12(6-9)21-13(22)20-11-3-1-2-8(4-11)14(17,18)19/h1-7H,(H2,20,21,22)

InChIKey

MAEABYYIFWFTEG-UHFFFAOYSA-N

Compound name

1-(3,5-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 4
Patents: 348.0044 Da
Monoisotopic Mass: 5.2
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]+	349.01168	167.9
[M+Na]+	370.99362	178.4
[M+NH4]+	366.03822	173.5
[M+K]+	386.96756	172.0
[M-H]-	346.99712	167.7
[M+Na-2H]-	368.97907	174.3
[M]+	348.00385	169.6
[M]-	348.00495	169.6

Literature stripe

literature stripe

Patent stripe

patents stripe