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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.05832 144.8
[M+Na]+ 239.04026 152.2
[M+NH4]+ 234.08486 150.0
[M+K]+ 255.01420 149.8
[M-H]- 215.04376 140.9
[M+Na-2H]- 237.02571 146.5
[M]+ 216.05049 144.2
[M]- 216.05159 144.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.