CID 42849151

1171773-00-4

Structural Information

Molecular Formula
C11H13F2NO2
SMILES
C1COC(CN1)COC2=CC(=C(C=C2)F)F
InChI
InChI=1S/C11H13F2NO2/c12-10-2-1-8(5-11(10)13)16-7-9-6-14-3-4-15-9/h1-2,5,9,14H,3-4,6-7H2
InChIKey
FWGZLYHSKGFEEA-UHFFFAOYSA-N
Compound name
2-[(3,4-difluorophenoxy)methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.09143 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.098706 148.4
[M+Na]+ 252.080648 154.8
[M-H]- 228.084154 149.8
[M+NH4]+ 247.125253 162.8
[M+K]+ 268.054588 152.2
[M+H-H2O]+ 212.088690 138.8
[M+HCOO]- 274.089631 164.0
[M+CH3COO]- 288.105281 185.8
[M+Na-2H]- 250.066096 152.7
[M]+ 229.09088142 142.8
[M]- 229.09197858 142.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.