CID 3049752

65201-27-6

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]+ 236.144516 154.7
[M+Na]+ 258.126458 160.4
[M-H]- 234.129964 158.0
[M+NH4]+ 253.171063 172.9
[M+K]+ 274.100398 158.5
[M+H-H2O]+ 218.134500 147.1
[M+HCOO]- 280.135441 176.8
[M+CH3COO]- 294.151091 199.9
[M+Na-2H]- 256.111906 156.0
[M]+ 235.13669142 154.9
[M]- 235.13778858 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.