CID 5709047

4-dimethylamino-4'-fluorochalcone

Structural Information

Molecular Formula

C₁₇H₁₆FNO

SMILES

CN(C)C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H16FNO/c1-19(2)16-10-3-13(4-11-16)5-12-17(20)14-6-8-15(18)9-7-14/h3-12H,1-2H3/b12-5+

InChIKey

WXIXYWVTPSVBET-LFYBBSHMSA-N

Compound name

(E)-3-[4-(dimethylamino)phenyl]-1-(4-fluorophenyl)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 269.12158 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	270.12886	161.6
[M+Na]+	292.11080	168.5
[M-H]-	268.11430	168.3
[M+NH4]+	287.15540	178.2
[M+K]+	308.08474	164.6
[M+H-H2O]+	252.11884	152.6
[M+HCOO]-	314.11978	185.1
[M+CH3COO]-	328.13543	204.8
[M+Na-2H]-	290.09625	164.4
[M]+	269.12103	161.3
[M]-	269.12213	161.3

Literature stripe

literature stripe

Patent stripe

patents stripe