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 141.1
[M+Na]+ 239.04026 151.3
[M-H]- 215.04376 139.4
[M+NH4]+ 234.08486 160.5
[M+K]+ 255.01420 146.5
[M+H-H2O]+ 199.04830 133.4
[M+HCOO]- 261.04924 158.1
[M+CH3COO]- 275.06489 185.9
[M+Na-2H]- 237.02571 144.9
[M]+ 216.05049 134.0
[M]- 216.05159 134.0
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.