CID 5356465

Mls002667984

Structural Information

Molecular Formula
C15H11BrO2
SMILES
C1=CC=C(C=C1)/C=C/C(=O)C2=C(C=CC(=C2)Br)O
InChI
InChI=1S/C15H11BrO2/c16-12-7-9-15(18)13(10-12)14(17)8-6-11-4-2-1-3-5-11/h1-10,18H/b8-6+
InChIKey
JPVAYWFGQZDOGG-SOFGYWHQSA-N
Compound name
(E)-1-(5-bromo-2-hydroxyphenyl)-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

301.99423 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.00151 160.1
[M+Na]+ 324.98345 170.6
[M-H]- 300.98695 168.0
[M+NH4]+ 320.02805 178.1
[M+K]+ 340.95739 157.9
[M+H-H2O]+ 284.99149 159.4
[M+HCOO]- 346.99243 179.9
[M+CH3COO]- 361.00808 196.8
[M+Na-2H]- 322.96890 165.3
[M]+ 301.99368 177.8
[M]- 301.99478 177.8
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