CID 22337573

581813-07-2

Structural Information

Molecular Formula

C₁₁H₁₄F₂N₂O

SMILES

C1COCCN1C2=C(C=C(C=C2F)CN)F

InChI

InChI=1S/C11H14F2N2O/c12-9-5-8(7-14)6-10(13)11(9)15-1-3-16-4-2-15/h5-6H,1-4,7,14H2

InChIKey

XZVHIFLULLZICN-UHFFFAOYSA-N

Compound name

(3,5-difluoro-4-morpholin-4-ylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 228.10742 Da
Monoisotopic Mass: 0.7
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]+	229.11470	150.2
[M+Na]+	251.09664	157.2
[M-H]-	227.10014	152.8
[M+NH4]+	246.14124	165.1
[M+K]+	267.07058	154.5
[M+H-H2O]+	211.10468	140.5
[M+HCOO]-	273.10562	167.4
[M+CH3COO]-	287.12127	191.7
[M+Na-2H]-	249.08209	153.5
[M]+	228.10687	143.7
[M]-	228.10797	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe