CID 3049752

3-(diethylamino)-1-(4-fluorophenyl)-2-methyl-2-propen-1-one

Structural Information

Molecular Formula
C14H18FNO
SMILES
CCN(CC)/C=C(\C)/C(=O)C1=CC=C(C=C1)F
InChI
InChI=1S/C14H18FNO/c1-4-16(5-2)10-11(3)14(17)12-6-8-13(15)9-7-12/h6-10H,4-5H2,1-3H3/b11-10+
InChIKey
JIPGVMVLHYRTAV-ZHACJKMWSA-N
Compound name
(E)-3-(diethylamino)-1-(4-fluorophenyl)-2-methylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.13724 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.14452 156.3
[M+Na]+ 258.12646 166.5
[M+NH4]+ 253.17106 163.2
[M+K]+ 274.10040 160.3
[M-H]- 234.12996 157.1
[M+Na-2H]- 256.11191 161.2
[M]+ 235.13669 157.7
[M]- 235.13779 157.7
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.