CID 1471834

Ht-2157

Structural Information

Molecular Formula

C₂₁H₁₃F₃N₂O

SMILES

C1=CC=C(C=C1)N2C3=CC=CC=C3C(=NC4=CC=CC(=C4)C(F)(F)F)C2=O

InChI

InChI=1S/C21H13F3N2O/c22-21(23,24)14-7-6-8-15(13-14)25-19-17-11-4-5-12-18(17)26(20(19)27)16-9-2-1-3-10-16/h1-13H

InChIKey

TXCGMRVPXUBHAL-UHFFFAOYSA-N

Compound name

1-phenyl-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 19
References: 101
Patents: 366.098 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]+	367.10528	184.7
[M+Na]+	389.08722	194.3
[M-H]-	365.09072	191.9
[M+NH4]+	384.13182	198.6
[M+K]+	405.06116	186.8
[M+H-H2O]+	349.09526	172.5
[M+HCOO]-	411.09620	203.9
[M+CH3COO]-	425.11185	195.1
[M+Na-2H]-	387.07267	187.4
[M]+	366.09745	181.1
[M]-	366.09855	181.1

Literature stripe

literature stripe

Patent stripe

patents stripe