CID 11293493

2,3-bis(4-fluorophenyl)-1-[hydroxy(phenyl)methyl]indolizine-7-carbonitrile

Structural Information

Molecular Formula
C28H18F2N2O
SMILES
C1=CC=C(C=C1)C(C2=C3C=C(C=CN3C(=C2C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)C#N)O
InChI
InChI=1S/C28H18F2N2O/c29-22-10-6-19(7-11-22)25-26(28(33)21-4-2-1-3-5-21)24-16-18(17-31)14-15-32(24)27(25)20-8-12-23(30)13-9-20/h1-16,28,33H
InChIKey
GIPPEUQRWAUMDY-UHFFFAOYSA-N
Compound name
2,3-bis(4-fluorophenyl)-1-[hydroxy(phenyl)methyl]indolizine-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

436.13873 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.14601 212.9
[M+Na]+ 459.12795 225.1
[M-H]- 435.13145 218.5
[M+NH4]+ 454.17255 220.8
[M+K]+ 475.10189 211.6
[M+H-H2O]+ 419.13599 194.0
[M+HCOO]- 481.13693 226.7
[M+CH3COO]- 495.15258 219.4
[M+Na-2H]- 457.11340 210.3
[M]+ 436.13818 206.1
[M]- 436.13928 206.1
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.