CID 15956362

Chembl425412

Structural Information

Molecular Formula
C14H9BrClNO2
SMILES
C1[C@@H]([C@]12C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=C(O4)Br
InChI
InChI=1S/C14H9BrClNO2/c15-12-4-3-11(19-12)9-6-14(9)8-5-7(16)1-2-10(8)17-13(14)18/h1-5,9H,6H2,(H,17,18)/t9-,14-/m1/s1
InChIKey
RUBILDWFLIMKCL-YMTOWFKASA-N
Compound name
(2'S,3S)-2'-(5-bromofuran-2-yl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.95053 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.95781 168.0
[M+Na]+ 359.93975 185.0
[M-H]- 335.94325 179.6
[M+NH4]+ 354.98435 185.7
[M+K]+ 375.91369 172.0
[M+H-H2O]+ 319.94779 169.9
[M+HCOO]- 381.94873 182.2
[M+CH3COO]- 395.96438 182.6
[M+Na-2H]- 357.92520 172.2
[M]+ 336.94998 190.8
[M]- 336.95108 190.8
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.