CID 108269961

4-bromo-2-(chloromethyl)-1-(3,4-dichlorophenoxy)benzene

Structural Information

Molecular Formula
C13H8BrCl3O
SMILES
C1=CC(=C(C=C1OC2=C(C=C(C=C2)Br)CCl)Cl)Cl
InChI
InChI=1S/C13H8BrCl3O/c14-9-1-4-13(8(5-9)7-15)18-10-2-3-11(16)12(17)6-10/h1-6H,7H2
InChIKey
QNYZXMYILYDBQG-UHFFFAOYSA-N
Compound name
4-bromo-2-(chloromethyl)-1-(3,4-dichlorophenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.88242 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.88970 162.3
[M+Na]+ 386.87164 177.3
[M-H]- 362.87514 170.1
[M+NH4]+ 381.91624 180.8
[M+K]+ 402.84558 162.4
[M+H-H2O]+ 346.87968 163.7
[M+HCOO]- 408.88062 170.2
[M+CH3COO]- 422.89627 176.3
[M+Na-2H]- 384.85709 167.1
[M]+ 363.88187 185.1
[M]- 363.88297 185.1
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

No patent data available for this compound.