CID 6711154

Cgp-53353

Structural Information

Molecular Formula

C₂₀H₁₃F₂N₃O₂

SMILES

C1=CC(=CC=C1NC2=C(C=C3C(=C2)C(=O)NC3=O)NC4=CC=C(C=C4)F)F

InChI

InChI=1S/C20H13F2N3O2/c21-11-1-5-13(6-2-11)23-17-9-15-16(20(27)25-19(15)26)10-18(17)24-14-7-3-12(22)4-8-14/h1-10,23-24H,(H,25,26,27)

InChIKey

RONQPWQYDRPRGG-UHFFFAOYSA-N

Compound name

5,6-bis(4-fluoroanilino)isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 45
References: 2282
Patents: 365.0976 Da
Monoisotopic Mass: 4.0
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]+	366.10488	181.3
[M+Na]+	388.08682	190.6
[M-H]-	364.09032	187.8
[M+NH4]+	383.13142	193.9
[M+K]+	404.06076	182.5
[M+H-H2O]+	348.09486	170.4
[M+HCOO]-	410.09580	201.8
[M+CH3COO]-	424.11145	191.3
[M+Na-2H]-	386.07227	183.3
[M]+	365.09705	177.4
[M]-	365.09815	177.4

Literature stripe

literature stripe

Patent stripe

patents stripe