CID 10105281

162252-92-8

Structural Information

Molecular Formula

C₉H₄F₃NO₃

SMILES

C1=CC2=C(C=C1OC(F)(F)F)NC(=O)C2=O

InChI

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

InChIKey

NHPRQRZWXLBANJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
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

No literature data available for this compound.

Patent stripe

patents stripe