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]+ 270.06801 159.5
[M+Na]+ 292.04995 172.0
[M-H]- 268.05345 167.3
[M+NH4]+ 287.09455 175.1
[M+K]+ 308.02389 164.4
[M+H-H2O]+ 252.05799 153.2
[M+HCOO]- 314.05893 175.3
[M+CH3COO]- 328.07458 171.7
[M+Na-2H]- 290.03540 164.1
[M]+ 269.06018 162.0
[M]- 269.06128 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.