CID 165605009

2-bromo-1,3-dichloro-5-(4-fluorophenoxy)benzene

Structural Information

Molecular Formula
C12H6BrCl2FO
SMILES
C1=CC(=CC=C1OC2=CC(=C(C(=C2)Cl)Br)Cl)F
InChI
InChI=1S/C12H6BrCl2FO/c13-12-10(14)5-9(6-11(12)15)17-8-3-1-7(16)2-4-8/h1-6H
InChIKey
ANCHNPYOXPEQIJ-UHFFFAOYSA-N
Compound name
2-bromo-1,3-dichloro-5-(4-fluorophenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.8963 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.90358 156.8
[M+Na]+ 356.88552 172.3
[M-H]- 332.88902 164.8
[M+NH4]+ 351.93012 176.4
[M+K]+ 372.85946 157.6
[M+H-H2O]+ 316.89356 157.1
[M+HCOO]- 378.89450 169.2
[M+CH3COO]- 392.91015 202.6
[M+Na-2H]- 354.87097 162.5
[M]+ 333.89575 178.7
[M]- 333.89685 178.7
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.