CID 16727577

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

Structural Information

Molecular Formula
C21H11BrCl2N2
SMILES
C1=CC(=CC=C1C2=C(N3C=CC(=CC3=C2Br)C#N)C4=CC=C(C=C4)Cl)Cl
InChI
InChI=1S/C21H11BrCl2N2/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
NGULXUSLGQYDLK-UHFFFAOYSA-N
Compound name
1-bromo-2,3-bis(4-chlorophenyl)indolizine-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

439.94827 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.95555 198.7
[M+Na]+ 462.93749 217.4
[M-H]- 438.94099 206.5
[M+NH4]+ 457.98209 213.3
[M+K]+ 478.91143 198.1
[M+H-H2O]+ 422.94553 190.5
[M+HCOO]- 484.94647 209.7
[M+CH3COO]- 498.96212 209.6
[M+Na-2H]- 460.92294 200.1
[M]+ 439.94772 215.0
[M]- 439.94882 215.0
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.