CID 2732752

169037-23-4

Structural Information

Molecular Formula

C₉H₄F₃NO₃

SMILES

C1=CC2=C(C=C1OC(F)(F)F)C(=O)C(=O)N2

InChI

InChI=1S/C9H4F3NO3/c10-9(11,12)16-4-1-2-6-5(3-4)7(14)8(15)13-6/h1-3H,(H,13,14,15)

InChIKey

XHAJMVPMNOBILF-UHFFFAOYSA-N

Compound name

5-(trifluoromethoxy)-1H-indole-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 317
Patents: 231.01433 Da
Monoisotopic Mass: 1.8
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]+	232.02161	149.7
[M+Na]+	254.00355	157.6
[M+NH4]+	249.04815	154.1
[M+K]+	269.97749	155.3
[M-H]-	230.00705	144.5
[M+Na-2H]-	251.98900	150.8
[M]+	231.01378	148.8
[M]-	231.01488	148.8

Literature stripe

literature stripe

Patent stripe

patents stripe