CID 15956408

Chembl206264

Structural Information

Molecular Formula
C13H12FNO3
SMILES
CCOC(=O)[C@H]1C[C@@]12C3=C(C=CC(=C3)F)NC2=O
InChI
InChI=1S/C13H12FNO3/c1-2-18-11(16)9-6-13(9)8-5-7(14)3-4-10(8)15-12(13)17/h3-5,9H,2,6H2,1H3,(H,15,17)/t9-,13-/m1/s1
InChIKey
ISIATAOFNKKPPK-NOZJJQNGSA-N
Compound name
ethyl (1'S,3S)-5-fluoro-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

249.08012 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.08740 155.0
[M+Na]+ 272.06934 166.8
[M-H]- 248.07284 159.1
[M+NH4]+ 267.11394 170.9
[M+K]+ 288.04328 161.6
[M+H-H2O]+ 232.07738 149.0
[M+HCOO]- 294.07832 173.1
[M+CH3COO]- 308.09397 193.3
[M+Na-2H]- 270.05479 158.3
[M]+ 249.07957 157.7
[M]- 249.08067 157.7
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.