CID 55221591

[4-bromo-2-(3,4-dichlorophenoxy)phenyl]methanol

Structural Information

Molecular Formula
C13H9BrCl2O2
SMILES
C1=CC(=C(C=C1OC2=C(C=CC(=C2)Br)CO)Cl)Cl
InChI
InChI=1S/C13H9BrCl2O2/c14-9-2-1-8(7-17)13(5-9)18-10-3-4-11(15)12(16)6-10/h1-6,17H,7H2
InChIKey
UCIWLMYSEPBUSF-UHFFFAOYSA-N
Compound name
[4-bromo-2-(3,4-dichlorophenoxy)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.9163 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.92358 164.5
[M+Na]+ 368.90552 172.0
[M+NH4]+ 363.95012 170.2
[M+K]+ 384.87946 169.1
[M-H]- 344.90902 167.2
[M+Na-2H]- 366.89097 170.1
[M]+ 345.91575 166.0
[M]- 345.91685 166.0
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

No patent data available for this compound.