CID 215856

1-butanone, 1-(4-fluorophenyl)-3-methyl-4-(4-morpholinyl)-, (+-)-, (z)-2-butenedioate (1:1)

Structural Information

Molecular Formula
C15H20FNO2
SMILES
CC(CC(=O)C1=CC=C(C=C1)F)CN2CCOCC2
InChI
InChI=1S/C15H20FNO2/c1-12(11-17-6-8-19-9-7-17)10-15(18)13-2-4-14(16)5-3-13/h2-5,12H,6-11H2,1H3
InChIKey
ANRUQSBASHPSLQ-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-methyl-4-morpholin-4-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1478 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.155076 162.5
[M+Na]+ 288.137018 166.3
[M-H]- 264.140524 165.8
[M+NH4]+ 283.181623 175.6
[M+K]+ 304.110958 164.6
[M+H-H2O]+ 248.145060 153.0
[M+HCOO]- 310.146001 177.5
[M+CH3COO]- 324.161651 197.4
[M+Na-2H]- 286.122466 164.0
[M]+ 265.14725142 158.9
[M]- 265.14834858 158.9
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.