CID 15956413

Chembl208413

Structural Information

Molecular Formula
C14H12F3NO4
SMILES
CCOC(=O)[C@H]1C[C@@]12C3=C(C=CC(=C3)OC(F)(F)F)NC2=O
InChI
InChI=1S/C14H12F3NO4/c1-2-21-11(19)9-6-13(9)8-5-7(22-14(15,16)17)3-4-10(8)18-12(13)20/h3-5,9H,2,6H2,1H3,(H,18,20)/t9-,13-/m1/s1
InChIKey
RVWBZHPWKSOCOL-NOZJJQNGSA-N
Compound name
ethyl (1'S,3S)-2-oxo-5-(trifluoromethoxy)spiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

315.07184 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.07912 165.8
[M+Na]+ 338.06106 177.2
[M-H]- 314.06456 167.1
[M+NH4]+ 333.10566 178.9
[M+K]+ 354.03500 172.0
[M+H-H2O]+ 298.06910 158.5
[M+HCOO]- 360.07004 180.0
[M+CH3COO]- 374.08569 203.1
[M+Na-2H]- 336.04651 168.9
[M]+ 315.07129 167.5
[M]- 315.07239 167.5
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

No patent data available for this compound.