CID 2732752

5-(trifluoromethoxy)-2,3-dihydro-1h-indole-2,3-dione

Structural Information

Molecular Formula
C9H4F3NO3
SMILES
C1=CC2=C(C=C1OC(F)(F)F)C(=O)C(=O)N2
InChI
InChI=1S/C9H4F3NO3/c10-9(11,12)16-4-1-2-6-5(3-4)7(14)8(15)13-6/h1-3H,(H,13,14,15)
InChIKey
XHAJMVPMNOBILF-UHFFFAOYSA-N
Compound name
5-(trifluoromethoxy)-1H-indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

321
Patents

231.01433 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.02161 141.7
[M+Na]+ 254.00355 152.8
[M-H]- 230.00705 140.6
[M+NH4]+ 249.04815 160.9
[M+K]+ 269.97749 149.0
[M+H-H2O]+ 214.01159 134.2
[M+HCOO]- 276.01253 158.9
[M+CH3COO]- 290.02818 184.9
[M+Na-2H]- 251.98900 146.4
[M]+ 231.01378 138.5
[M]- 231.01488 138.5
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