CID 12601284

1-(3-bromophenyl)-2-phenylethane-1,2-dione

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
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

No literature data available for this compound.

Patent stripe

patents stripe