CID 5272705

1-[2-(3,4-dichlorophenyl)indolizin-3-yl]ethanone

Structural Information

Molecular Formula
C16H11Cl2NO
SMILES
CC(=O)C1=C(C=C2N1C=CC=C2)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H11Cl2NO/c1-10(20)16-13(9-12-4-2-3-7-19(12)16)11-5-6-14(17)15(18)8-11/h2-9H,1H3
InChIKey
DENPDVIOTRURAV-UHFFFAOYSA-N
Compound name
1-[2-(3,4-dichlorophenyl)indolizin-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.02176 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.02904 165.8
[M+Na]+ 326.01098 178.7
[M-H]- 302.01448 172.4
[M+NH4]+ 321.05558 184.1
[M+K]+ 341.98492 171.0
[M+H-H2O]+ 286.01902 159.3
[M+HCOO]- 348.01996 179.7
[M+CH3COO]- 362.03561 178.7
[M+Na-2H]- 323.99643 168.5
[M]+ 303.02121 172.1
[M]- 303.02231 172.1
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.