CID 2758970

1-bromo-3-[(4-fluorophenyl)methoxy]benzene

Structural Information

Molecular Formula
C13H10BrFO
SMILES
C1=CC(=CC(=C1)Br)OCC2=CC=C(C=C2)F
InChI
InChI=1S/C13H10BrFO/c14-11-2-1-3-13(8-11)16-9-10-4-6-12(15)7-5-10/h1-8H,9H2
InChIKey
XDWVGNILIVLUOR-UHFFFAOYSA-N
Compound name
1-bromo-3-[(4-fluorophenyl)methoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

279.9899 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.99718 153.7
[M+Na]+ 302.97912 165.4
[M-H]- 278.98262 161.8
[M+NH4]+ 298.02372 173.4
[M+K]+ 318.95306 153.7
[M+H-H2O]+ 262.98716 152.3
[M+HCOO]- 324.98810 175.0
[M+CH3COO]- 339.00375 195.6
[M+Na-2H]- 300.96457 160.9
[M]+ 279.98935 172.1
[M]- 279.99045 172.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.