CID 6474673

2'-fluoro-4-methoxychalcone

Structural Information

Molecular Formula
C16H13FO2
SMILES
COC1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2F
InChI
InChI=1S/C16H13FO2/c1-19-13-9-6-12(7-10-13)8-11-16(18)14-4-2-3-5-15(14)17/h2-11H,1H3/b11-8+
InChIKey
LCTIVNSGDVUKAQ-DHZHZOJOSA-N
Compound name
(E)-1-(2-fluorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

9
Patents

256.08997 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09725 156.1
[M+Na]+ 279.07919 164.1
[M-H]- 255.08269 161.6
[M+NH4]+ 274.12379 172.9
[M+K]+ 295.05313 159.7
[M+H-H2O]+ 239.08723 147.7
[M+HCOO]- 301.08817 178.6
[M+CH3COO]- 315.10382 195.6
[M+Na-2H]- 277.06464 159.8
[M]+ 256.08942 156.3
[M]- 256.09052 156.3
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.