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

literature stripe

Patent stripe

patents stripe