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]+ 230.09871 148.4
[M+Na]+ 252.08065 154.8
[M-H]- 228.08415 149.8
[M+NH4]+ 247.12525 162.8
[M+K]+ 268.05459 152.2
[M+H-H2O]+ 212.08869 138.8
[M+HCOO]- 274.08963 164.0
[M+CH3COO]- 288.10528 185.8
[M+Na-2H]- 250.06610 152.7
[M]+ 229.09088 142.8
[M]- 229.09198 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.