CID 6447867

4-(4-trifluoromethylcinnamoyl)morpholine

Structural Information

Molecular Formula
C14H14F3NO2
SMILES
C1COCCN1C(=O)/C=C/C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C14H14F3NO2/c15-14(16,17)12-4-1-11(2-5-12)3-6-13(19)18-7-9-20-10-8-18/h1-6H,7-10H2/b6-3+
InChIKey
JWVNZDVHZDCEJZ-ZZXKWVIFSA-N
Compound name
(E)-1-morpholin-4-yl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

285.09766 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.10494 162.9
[M+Na]+ 308.08688 168.6
[M-H]- 284.09038 164.0
[M+NH4]+ 303.13148 175.5
[M+K]+ 324.06082 165.6
[M+H-H2O]+ 268.09492 152.4
[M+HCOO]- 330.09586 175.8
[M+CH3COO]- 344.11151 196.6
[M+Na-2H]- 306.07233 165.8
[M]+ 285.09711 155.9
[M]- 285.09821 155.9
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

patents stripe