CID 15956377

Chembl203294

Structural Information

Molecular Formula
C16H12ClNO
SMILES
C1[C@@H]([C@]12C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4
InChI
InChI=1S/C16H12ClNO/c17-11-6-7-14-12(8-11)16(15(19)18-14)9-13(16)10-4-2-1-3-5-10/h1-8,13H,9H2,(H,18,19)/t13-,16-/m1/s1
InChIKey
SVHBOFSQCAOODS-CZUORRHYSA-N
Compound name
(2'R,3S)-5-chloro-2'-phenylspiro[1H-indole-3,1'-cyclopropane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

269.06073 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.068006 159.5
[M+Na]+ 292.049948 172.0
[M-H]- 268.053454 167.3
[M+NH4]+ 287.094553 175.1
[M+K]+ 308.023888 164.4
[M+H-H2O]+ 252.057990 153.2
[M+HCOO]- 314.058931 175.3
[M+CH3COO]- 328.074581 171.7
[M+Na-2H]- 290.035396 164.1
[M]+ 269.06018142 162.0
[M]- 269.06127858 162.0
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.