CID 75365553

1-(bromomethyl)-2-(2-fluorophenoxy)benzene

Structural Information

Molecular Formula
C13H10BrFO
SMILES
C1=CC=C(C(=C1)CBr)OC2=CC=CC=C2F
InChI
InChI=1S/C13H10BrFO/c14-9-10-5-1-3-7-12(10)16-13-8-4-2-6-11(13)15/h1-8H,9H2
InChIKey
XMLQZXKMEUJKFF-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-2-(2-fluorophenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

279.9899 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.997176 153.7
[M+Na]+ 302.979118 165.4
[M-H]- 278.982624 161.8
[M+NH4]+ 298.023723 173.4
[M+K]+ 318.953058 153.7
[M+H-H2O]+ 262.987160 152.3
[M+HCOO]- 324.988101 175.0
[M+CH3COO]- 339.003751 195.6
[M+Na-2H]- 300.964566 160.9
[M]+ 279.98935142 172.1
[M]- 279.99044858 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

No literature data available for this compound.

Patent stripe

patents stripe