CID 5272729

8-chloro-2-phenyl-6-(trifluoromethyl)indolizine

Structural Information

Molecular Formula
C15H9ClF3N
SMILES
C1=CC=C(C=C1)C2=CN3C=C(C=C(C3=C2)Cl)C(F)(F)F
InChI
InChI=1S/C15H9ClF3N/c16-13-7-12(15(17,18)19)9-20-8-11(6-14(13)20)10-4-2-1-3-5-10/h1-9H
InChIKey
LBKFYIAZSQAFSB-UHFFFAOYSA-N
Compound name
8-chloro-2-phenyl-6-(trifluoromethyl)indolizine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.03757 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.04485 161.2
[M+Na]+ 318.02679 174.1
[M-H]- 294.03029 164.5
[M+NH4]+ 313.07139 179.4
[M+K]+ 334.00073 166.2
[M+H-H2O]+ 278.03483 151.7
[M+HCOO]- 340.03577 176.4
[M+CH3COO]- 354.05142 173.7
[M+Na-2H]- 316.01224 166.1
[M]+ 295.03702 161.8
[M]- 295.03812 161.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.