CID 6447867

Morpholine, 4-(1-oxo-3-(4-(trifluoromethyl)phenyl)-2-propenyl)-

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]+ 286.104936 162.9
[M+Na]+ 308.086878 168.6
[M-H]- 284.090384 164.0
[M+NH4]+ 303.131483 175.5
[M+K]+ 324.060818 165.6
[M+H-H2O]+ 268.094920 152.4
[M+HCOO]- 330.095861 175.8
[M+CH3COO]- 344.111511 196.6
[M+Na-2H]- 306.072326 165.8
[M]+ 285.09711142 155.9
[M]- 285.09820858 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