CID 70692806

1159978-97-8

Structural Information

Molecular Formula
C15H13BrO3
SMILES
CC(=O)C1=C(C=C(C=C1)OCC2=CC=C(C=C2)Br)O
InChI
InChI=1S/C15H13BrO3/c1-10(17)14-7-6-13(8-15(14)18)19-9-11-2-4-12(16)5-3-11/h2-8,18H,9H2,1H3
InChIKey
OAXATZGCTRXLHW-UHFFFAOYSA-N
Compound name
1-[4-[(4-bromophenyl)methoxy]-2-hydroxyphenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.00482 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.01210 163.6
[M+Na]+ 342.99404 174.4
[M-H]- 318.99754 171.7
[M+NH4]+ 338.03864 181.0
[M+K]+ 358.96798 162.8
[M+H-H2O]+ 303.00208 162.6
[M+HCOO]- 365.00302 183.3
[M+CH3COO]- 379.01867 201.3
[M+Na-2H]- 340.97949 168.1
[M]+ 320.00427 183.7
[M]- 320.00537 183.7
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

No patent data available for this compound.