CID 7148609

554448-63-4

Structural Information

Molecular Formula

C₁₁H₁₂FNO₂

SMILES

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

InChI

InChI=1S/C11H12FNO2/c12-11-7-10(2-1-9(11)8-14)13-3-5-15-6-4-13/h1-2,7-8H,3-6H2

InChIKey

UEKCASSBRLOEDR-UHFFFAOYSA-N

Compound name

2-fluoro-4-morpholin-4-ylbenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 80
Patents: 209.0852 Da
Monoisotopic Mass: 1.2
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]+	210.092476	143.5
[M+Na]+	232.074418	150.6
[M-H]-	208.077924	147.8
[M+NH4]+	227.119023	159.5
[M+K]+	248.048358	148.9
[M+H-H2O]+	192.082460	134.9
[M+HCOO]-	254.083401	162.0
[M+CH3COO]-	268.099051	184.8
[M+Na-2H]-	230.059866	149.0
[M]+	209.08465142	140.2
[M]-	209.08574858	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe