CID 15956378

Chembl377930

Structural Information

Molecular Formula
C16H11ClFNO
SMILES
C1[C@@H]([C@]12C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C16H11ClFNO/c17-10-3-6-14-12(7-10)16(15(20)19-14)8-13(16)9-1-4-11(18)5-2-9/h1-7,13H,8H2,(H,19,20)/t13-,16-/m1/s1
InChIKey
ALTPRRVVROADNO-CZUORRHYSA-N
Compound name
(2'R,3S)-5-chloro-2'-(4-fluorophenyl)spiro[1H-indole-3,1'-cyclopropane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.05133 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.05861 160.4
[M+Na]+ 310.04055 173.7
[M-H]- 286.04405 167.2
[M+NH4]+ 305.08515 175.5
[M+K]+ 326.01449 165.6
[M+H-H2O]+ 270.04859 153.3
[M+HCOO]- 332.04953 175.2
[M+CH3COO]- 346.06518 172.4
[M+Na-2H]- 308.02600 163.9
[M]+ 287.05078 162.3
[M]- 287.05188 162.3
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.