CID 2063466

2-(4-bromophenyl)-1-(2,4-dihydroxyphenyl)ethanone

Structural Information

Molecular Formula
C14H11BrO3
SMILES
C1=CC(=CC=C1CC(=O)C2=C(C=C(C=C2)O)O)Br
InChI
InChI=1S/C14H11BrO3/c15-10-3-1-9(2-4-10)7-13(17)12-6-5-11(16)8-14(12)18/h1-6,8,16,18H,7H2
InChIKey
GVDMPWQNNRNDOG-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-1-(2,4-dihydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

27
Patents

305.98917 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.99645 159.8
[M+Na]+ 328.97839 170.5
[M-H]- 304.98189 166.8
[M+NH4]+ 324.02299 177.1
[M+K]+ 344.95233 158.3
[M+H-H2O]+ 288.98643 159.1
[M+HCOO]- 350.98737 178.4
[M+CH3COO]- 365.00302 196.2
[M+Na-2H]- 326.96384 164.3
[M]+ 305.98862 177.8
[M]- 305.98972 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