CID 15956380

Chembl207310

Structural Information

Molecular Formula
C16H11BrClNO
SMILES
C1[C@@H]([C@]12C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4Br
InChI
InChI=1S/C16H11BrClNO/c17-13-4-2-1-3-10(13)12-8-16(12)11-7-9(18)5-6-14(11)19-15(16)20/h1-7,12H,8H2,(H,19,20)/t12-,16-/m1/s1
InChIKey
XOGCQIBZNUHNHA-MLGOLLRUSA-N
Compound name
(2'S,3S)-2'-(2-bromophenyl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.97125 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.97853 171.2
[M+Na]+ 369.96047 187.3
[M-H]- 345.96397 181.6
[M+NH4]+ 365.00507 188.0
[M+K]+ 385.93441 172.6
[M+H-H2O]+ 329.96851 171.8
[M+HCOO]- 391.96945 185.1
[M+CH3COO]- 405.98510 184.9
[M+Na-2H]- 367.94592 176.1
[M]+ 346.97070 191.9
[M]- 346.97180 191.9
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.