CID 923524

4-(3-(4-fluorophenyl)-2-propenoyl)morpholine

Structural Information

Molecular Formula
C13H14FNO2
SMILES
C1COCCN1C(=O)/C=C/C2=CC=C(C=C2)F
InChI
InChI=1S/C13H14FNO2/c14-12-4-1-11(2-5-12)3-6-13(16)15-7-9-17-10-8-15/h1-6H,7-10H2/b6-3+
InChIKey
DLDOPPUZJCILPO-ZZXKWVIFSA-N
Compound name
(E)-3-(4-fluorophenyl)-1-morpholin-4-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

4
Patents

235.10086 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.10814 152.3
[M+Na]+ 258.09008 157.8
[M-H]- 234.09358 156.0
[M+NH4]+ 253.13468 166.9
[M+K]+ 274.06402 155.5
[M+H-H2O]+ 218.09812 143.3
[M+HCOO]- 280.09906 169.3
[M+CH3COO]- 294.11471 188.4
[M+Na-2H]- 256.07553 156.2
[M]+ 235.10031 147.8
[M]- 235.10141 147.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe