CID 16727546

1-bromo-2,3-bis(4-fluorophenyl)indolizine-7-carbonitrile

Structural Information

Molecular Formula
C21H11BrF2N2
SMILES
C1=CC(=CC=C1C2=C(N3C=CC(=CC3=C2Br)C#N)C4=CC=C(C=C4)F)F
InChI
InChI=1S/C21H11BrF2N2/c22-20-18-11-13(12-25)9-10-26(18)21(15-3-7-17(24)8-4-15)19(20)14-1-5-16(23)6-2-14/h1-11H
InChIKey
QGCUICRMYPSYGF-UHFFFAOYSA-N
Compound name
1-bromo-2,3-bis(4-fluorophenyl)indolizine-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

408.0074 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.01468 192.8
[M+Na]+ 430.99662 209.6
[M-H]- 407.00012 199.1
[M+NH4]+ 426.04122 207.0
[M+K]+ 446.97056 192.0
[M+H-H2O]+ 391.00466 182.2
[M+HCOO]- 453.00560 210.4
[M+CH3COO]- 467.02125 203.5
[M+Na-2H]- 428.98207 194.0
[M]+ 408.00685 204.3
[M]- 408.00795 204.3
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.