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]+ 260.00808 150.7
[M+Na]+ 281.99002 160.4
[M-H]- 257.99352 156.2
[M+NH4]+ 277.03462 167.9
[M+K]+ 297.96396 149.6
[M+H-H2O]+ 241.99806 149.2
[M+HCOO]- 303.99900 165.4
[M+CH3COO]- 318.01465 163.7
[M+Na-2H]- 279.97547 156.8
[M]+ 259.00025 163.5
[M]- 259.00135 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.