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]+ 280.99718 153.1
[M+Na]+ 302.97912 165.7
[M-H]- 278.98262 161.6
[M+NH4]+ 298.02372 173.2
[M+K]+ 318.95306 154.0
[M+H-H2O]+ 262.98716 151.9
[M+HCOO]- 324.98810 174.5
[M+CH3COO]- 339.00375 196.7
[M+Na-2H]- 300.96457 159.7
[M]+ 279.98935 172.0
[M]- 279.99045 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