CID 3060201

Methanone, (1-bromo-2-(4-fluorophenyl)-3-indolizinyl)(3-bromo-4-hydroxyphenyl)-

Structural Information

Molecular Formula
C21H12Br2FNO2
SMILES
C1=CC2=C(C(=C(N2C=C1)C(=O)C3=CC(=C(C=C3)O)Br)C4=CC=C(C=C4)F)Br
InChI
InChI=1S/C21H12Br2FNO2/c22-15-11-13(6-9-17(15)26)21(27)20-18(12-4-7-14(24)8-5-12)19(23)16-3-1-2-10-25(16)20/h1-11,26H
InChIKey
OAOSWNJSSPIKDR-UHFFFAOYSA-N
Compound name
[1-bromo-2-(4-fluorophenyl)indolizin-3-yl]-(3-bromo-4-hydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

486.92188 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.92916 191.0
[M+Na]+ 509.91110 202.2
[M-H]- 485.91460 200.9
[M+NH4]+ 504.95570 204.6
[M+K]+ 525.88504 186.7
[M+H-H2O]+ 469.91914 197.4
[M+HCOO]- 531.92008 204.3
[M+CH3COO]- 545.93573 202.3
[M+Na-2H]- 507.89655 192.5
[M]+ 486.92133 225.5
[M]- 486.92243 225.5
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

patents stripe