CID 6447495

Brn 4427214

Structural Information

Molecular Formula
C14H16FNO2
SMILES
C/C(=C/C(=O)C1=CC=C(C=C1)F)/N2CCOCC2
InChI
InChI=1S/C14H16FNO2/c1-11(16-6-8-18-9-7-16)10-14(17)12-2-4-13(15)5-3-12/h2-5,10H,6-9H2,1H3/b11-10-
InChIKey
WDESLVHWODEUFZ-KHPPLWFESA-N
Compound name
(Z)-1-(4-fluorophenyl)-3-morpholin-4-ylbut-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.1165 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.12378 156.7
[M+Na]+ 272.10572 161.4
[M-H]- 248.10922 160.3
[M+NH4]+ 267.15032 170.5
[M+K]+ 288.07966 159.3
[M+H-H2O]+ 232.11376 147.6
[M+HCOO]- 294.11470 172.3
[M+CH3COO]- 308.13035 193.0
[M+Na-2H]- 270.09117 158.9
[M]+ 249.11595 152.0
[M]- 249.11705 152.0
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.