CID 62913542

2-(3-bromo-4-fluorophenyl)morpholine

Structural Information

Molecular Formula
C10H11BrFNO
SMILES
C1COC(CN1)C2=CC(=C(C=C2)F)Br
InChI
InChI=1S/C10H11BrFNO/c11-8-5-7(1-2-9(8)12)10-6-13-3-4-14-10/h1-2,5,10,13H,3-4,6H2
InChIKey
PHFYBLLSWCVDOJ-UHFFFAOYSA-N
Compound name
2-(3-bromo-4-fluorophenyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.0008 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.008076 150.7
[M+Na]+ 281.990018 160.4
[M-H]- 257.993524 156.2
[M+NH4]+ 277.034623 167.9
[M+K]+ 297.963958 149.6
[M+H-H2O]+ 241.998060 149.2
[M+HCOO]- 303.999001 165.4
[M+CH3COO]- 318.014651 163.7
[M+Na-2H]- 279.975466 156.8
[M]+ 259.00025142 163.5
[M]- 259.00134858 163.5
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.