CID 10987649

6-(trifluoromethyl)-2,3-dihydro-1h-indole-2,3-dione

Structural Information

Molecular Formula
C9H4F3NO2
SMILES
C1=CC2=C(C=C1C(F)(F)F)NC(=O)C2=O
InChI
InChI=1S/C9H4F3NO2/c10-9(11,12)4-1-2-5-6(3-4)13-8(15)7(5)14/h1-3H,(H,13,14,15)
InChIKey
CYVMRSKFRIKMQL-UHFFFAOYSA-N
Compound name
6-(trifluoromethyl)-1H-indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

215.01941 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.026686 138.9
[M+Na]+ 238.008628 150.1
[M-H]- 214.012134 137.8
[M+NH4]+ 233.053233 158.8
[M+K]+ 253.982568 145.7
[M+H-H2O]+ 198.016670 131.5
[M+HCOO]- 260.017611 155.9
[M+CH3COO]- 274.033261 182.8
[M+Na-2H]- 235.994076 143.4
[M]+ 215.01886142 134.2
[M]- 215.01995858 134.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe