CID 25307163

2-oxo-5-(trifluoromethoxy)indoline

Structural Information

Molecular Formula

C₉H₆F₃NO₂

SMILES

C1C2=C(C=CC(=C2)OC(F)(F)F)NC1=O

InChI

InChI=1S/C9H6F3NO2/c10-9(11,12)15-6-1-2-7-5(3-6)4-8(14)13-7/h1-3H,4H2,(H,13,14)

InChIKey

NJZFZLIOCDIELL-UHFFFAOYSA-N

Compound name

5-(trifluoromethoxy)-1,3-dihydroindol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 217.03506 Da
Monoisotopic Mass: 2.3
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]+	218.04234	140.3
[M+Na]+	240.02428	150.3
[M-H]-	216.02778	138.7
[M+NH4]+	235.06888	159.9
[M+K]+	255.99822	146.5
[M+H-H2O]+	200.03232	132.5
[M+HCOO]-	262.03326	157.1
[M+CH3COO]-	276.04891	182.4
[M+Na-2H]-	238.00973	145.4
[M]+	217.03451	135.9
[M]-	217.03561	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe