CID 57968943

1-bromo-4-(4-fluorophenoxy)-2-methylbenzene

Structural Information

Molecular Formula
C13H10BrFO
SMILES
CC1=C(C=CC(=C1)OC2=CC=C(C=C2)F)Br
InChI
InChI=1S/C13H10BrFO/c1-9-8-12(6-7-13(9)14)16-11-4-2-10(15)3-5-11/h2-8H,1H3
InChIKey
SLVUNJMSVFVFFZ-UHFFFAOYSA-N
Compound name
1-bromo-4-(4-fluorophenoxy)-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

279.9899 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.997176 153.1
[M+Na]+ 302.979118 165.7
[M-H]- 278.982624 161.6
[M+NH4]+ 298.023723 173.2
[M+K]+ 318.953058 154.0
[M+H-H2O]+ 262.987160 151.9
[M+HCOO]- 324.988101 174.5
[M+CH3COO]- 339.003751 196.7
[M+Na-2H]- 300.964566 159.7
[M]+ 279.98935142 172.0
[M]- 279.99044858 172.0
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