CID 11009538

224323-51-7

Structural Information

Molecular Formula

C₁₁H₁₁FN₂O₂

SMILES

C1COCCN1C2=C(C=C(C=C2)N=C=O)F

InChI

InChI=1S/C11H11FN2O2/c12-10-7-9(13-8-15)1-2-11(10)14-3-5-16-6-4-14/h1-2,7H,3-6H2

InChIKey

JFYQLZHULWIALT-UHFFFAOYSA-N

Compound name

4-(2-fluoro-4-isocyanatophenyl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 99
Patents: 222.08046 Da
Monoisotopic Mass: 2.6
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]+	223.08774	146.5
[M+Na]+	245.06968	153.6
[M-H]-	221.07318	152.2
[M+NH4]+	240.11428	162.3
[M+K]+	261.04362	152.0
[M+H-H2O]+	205.07772	137.2
[M+HCOO]-	267.07866	167.7
[M+CH3COO]-	281.09431	190.8
[M+Na-2H]-	243.05513	152.8
[M]+	222.07991	143.6
[M]-	222.08101	143.6

Literature stripe

literature stripe

Patent stripe

patents stripe