CID 21914503

4-(4-bromo-2-fluorobenzyl)morpholine

Structural Information

Molecular Formula

C₁₁H₁₃BrFNO

SMILES

C1COCCN1CC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C11H13BrFNO/c12-10-2-1-9(11(13)7-10)8-14-3-5-15-6-4-14/h1-2,7H,3-6,8H2

InChIKey

OQMLJVPTCMLEGO-UHFFFAOYSA-N

Compound name

4-[(4-bromo-2-fluorophenyl)methyl]morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 84
Patents: 273.01645 Da
Monoisotopic Mass: 2.2
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]+	274.023726	154.4
[M+Na]+	296.005668	164.2
[M-H]-	272.009174	161.1
[M+NH4]+	291.050273	171.8
[M+K]+	311.979608	154.1
[M+H-H2O]+	256.013710	152.5
[M+HCOO]-	318.014651	170.3
[M+CH3COO]-	332.030301	193.3
[M+Na-2H]-	293.991116	160.5
[M]+	273.01590142	169.4
[M]-	273.01699858	169.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe