CID 2916909

(3-amino-1-benzofuran-2-yl)(4-bromophenyl)methanone

Structural Information

Molecular Formula
C15H10BrNO2
SMILES
C1=CC=C2C(=C1)C(=C(O2)C(=O)C3=CC=C(C=C3)Br)N
InChI
InChI=1S/C15H10BrNO2/c16-10-7-5-9(6-8-10)14(18)15-13(17)11-3-1-2-4-12(11)19-15/h1-8H,17H2
InChIKey
YTPPDEUSISZRMO-UHFFFAOYSA-N
Compound name
(3-amino-1-benzofuran-2-yl)-(4-bromophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

314.9895 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.99678 162.5
[M+Na]+ 337.97872 167.8
[M+NH4]+ 333.02332 167.8
[M+K]+ 353.95266 168.4
[M-H]- 313.98222 166.8
[M+Na-2H]- 335.96417 167.0
[M]+ 314.98895 163.4
[M]- 314.99005 163.4
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.