CID 15956416

Chembl208836

Structural Information

Molecular Formula
C13H11Cl2NO3
SMILES
CCOC(=O)[C@H]1C[C@@]12C3=C(C(=CC(=C3)Cl)Cl)NC2=O
InChI
InChI=1S/C13H11Cl2NO3/c1-2-19-11(17)8-5-13(8)7-3-6(14)4-9(15)10(7)16-12(13)18/h3-4,8H,2,5H2,1H3,(H,16,18)/t8-,13-/m1/s1
InChIKey
IMXFIDLCDIWJRK-AMIZOPFISA-N
Compound name
ethyl (1'S,3S)-5,7-dichloro-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.0116 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.01888 161.5
[M+Na]+ 322.00082 174.4
[M-H]- 298.00432 165.9
[M+NH4]+ 317.04542 176.8
[M+K]+ 337.97476 167.2
[M+H-H2O]+ 282.00886 157.8
[M+HCOO]- 344.00980 171.2
[M+CH3COO]- 358.02545 199.8
[M+Na-2H]- 319.98627 163.6
[M]+ 299.01105 168.1
[M]- 299.01215 168.1
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.