CID 736163

5067-24-3

Structural Information

Molecular Formula
C15H11BrO3
SMILES
C1=CC=C(C=C1)C(=O)CC(=O)C2=C(C=CC(=C2)Br)O
InChI
InChI=1S/C15H11BrO3/c16-11-6-7-13(17)12(8-11)15(19)9-14(18)10-4-2-1-3-5-10/h1-8,17H,9H2
InChIKey
QKZDINXTJFUKGF-UHFFFAOYSA-N
Compound name
1-(5-bromo-2-hydroxyphenyl)-3-phenylpropane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

317.98917 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.99645 162.9
[M+Na]+ 340.97839 172.8
[M-H]- 316.98189 170.7
[M+NH4]+ 336.02299 179.9
[M+K]+ 356.95233 161.1
[M+H-H2O]+ 300.98643 161.9
[M+HCOO]- 362.98737 181.8
[M+CH3COO]- 377.00302 200.2
[M+Na-2H]- 338.96384 166.9
[M]+ 317.98862 181.4
[M]- 317.98972 181.4
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

patents stripe