CID 236701

1-(4-bromophenyl)-2-phenylethane-1,2-dione

Structural Information

Molecular Formula
C14H9BrO2
SMILES
C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C14H9BrO2/c15-12-8-6-11(7-9-12)14(17)13(16)10-4-2-1-3-5-10/h1-9H
InChIKey
REKFALFAMJBFCR-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-2-phenylethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

287.97858 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.98586 155.4
[M+Na]+ 310.96780 165.6
[M-H]- 286.97130 164.4
[M+NH4]+ 306.01240 174.1
[M+K]+ 326.94174 154.4
[M+H-H2O]+ 270.97584 154.6
[M+HCOO]- 332.97678 176.0
[M+CH3COO]- 346.99243 196.8
[M+Na-2H]- 308.95325 161.1
[M]+ 287.97803 173.7
[M]- 287.97913 173.7
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

patents stripe