CID 5702626

4-fluoro-4'-methylchalcone

Structural Information

Molecular Formula
C16H13FO
SMILES
CC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)F
InChI
InChI=1S/C16H13FO/c1-12-2-7-14(8-3-12)16(18)11-6-13-4-9-15(17)10-5-13/h2-11H,1H3/b11-6+
InChIKey
LUUPODNGYDYQLY-IZZDOVSWSA-N
Compound name
(E)-3-(4-fluorophenyl)-1-(4-methylphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.09505 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10233 152.4
[M+Na]+ 263.08427 160.6
[M-H]- 239.08777 158.0
[M+NH4]+ 258.12887 170.0
[M+K]+ 279.05821 155.6
[M+H-H2O]+ 223.09231 144.4
[M+HCOO]- 285.09325 174.8
[M+CH3COO]- 299.10890 193.5
[M+Na-2H]- 261.06972 156.2
[M]+ 240.09450 151.3
[M]- 240.09560 151.3
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

No patent data available for this compound.