CID 19637

3800-15-5

Structural Information

Molecular Formula

C₁₄H₁₈FNO₂

SMILES

C1COCCN1CCCC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C14H18FNO2/c15-13-5-3-12(4-6-13)14(17)2-1-7-16-8-10-18-11-9-16/h3-6H,1-2,7-11H2

InChIKey

OQJFBTBPFKSJAI-UHFFFAOYSA-N

Compound name

1-(4-fluorophenyl)-4-morpholin-4-ylbutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 251.13216 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	252.13944	157.8
[M+Na]+	274.12138	162.3
[M-H]-	250.12488	161.1
[M+NH4]+	269.16598	171.5
[M+K]+	290.09532	160.3
[M+H-H2O]+	234.12942	148.3
[M+HCOO]-	296.13036	174.1
[M+CH3COO]-	310.14601	193.6
[M+Na-2H]-	272.10683	161.0
[M]+	251.13161	154.4
[M]-	251.13271	154.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe