CID 117209497

5-amino-7-(trifluoromethyl)-2,3-dihydro-1h-indol-2-one

Structural Information

Molecular Formula

C₉H₇F₃N₂O

SMILES

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

InChI

InChI=1S/C9H7F3N2O/c10-9(11,12)6-3-5(13)1-4-2-7(15)14-8(4)6/h1,3H,2,13H2,(H,14,15)

InChIKey

VMYTXCMVFGCHPC-UHFFFAOYSA-N

Compound name

5-amino-7-(trifluoromethyl)-1,3-dihydroindol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 216.05104 Da
Monoisotopic Mass: 1.0
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]+	217.058316	141.1
[M+Na]+	239.040258	151.3
[M-H]-	215.043764	139.4
[M+NH4]+	234.084863	160.5
[M+K]+	255.014198	146.5
[M+H-H2O]+	199.048300	133.4
[M+HCOO]-	261.049241	158.1
[M+CH3COO]-	275.064891	185.9
[M+Na-2H]-	237.025706	144.9
[M]+	216.05049142	134.0
[M]-	216.05158858	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.