CID 6474674

Chembl5172202

Structural Information

Molecular Formula
C16H13FO3
SMILES
COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2)F)O
InChI
InChI=1S/C16H13FO3/c1-20-13-6-2-11(3-7-13)4-9-15(18)14-8-5-12(17)10-16(14)19/h2-10,19H,1H3/b9-4+
InChIKey
IXFBXEVPPAJVKN-RUDMXATFSA-N
Compound name
(E)-1-(4-fluoro-2-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

272.08487 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.09215 159.3
[M+Na]+ 295.07409 167.6
[M-H]- 271.07759 163.8
[M+NH4]+ 290.11869 174.9
[M+K]+ 311.04803 163.0
[M+H-H2O]+ 255.08213 151.2
[M+HCOO]- 317.08307 180.5
[M+CH3COO]- 331.09872 196.3
[M+Na-2H]- 293.05954 161.9
[M]+ 272.08432 159.5
[M]- 272.08542 159.5
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