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 154.7
[M+Na]+ 258.12646 160.4
[M-H]- 234.12996 158.0
[M+NH4]+ 253.17106 172.9
[M+K]+ 274.10040 158.5
[M+H-H2O]+ 218.13450 147.1
[M+HCOO]- 280.13544 176.8
[M+CH3COO]- 294.15109 199.9
[M+Na-2H]- 256.11191 156.0
[M]+ 235.13669 154.9
[M]- 235.13779 154.9
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.