CID 6474672

2'-hydroxy-4-nethoxy-3'-fluorochalcone

Structural Information

Molecular Formula
C16H13FO3
SMILES
COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C(=CC=C2)F)O
InChI
InChI=1S/C16H13FO3/c1-20-12-8-5-11(6-9-12)7-10-15(18)13-3-2-4-14(17)16(13)19/h2-10,19H,1H3/b10-7+
InChIKey
BNSZALAYHDRTJH-JXMROGBWSA-N
Compound name
(E)-1-(3-fluoro-2-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.