CID 90279

Benzene, 1-(3-bromophenoxy)-3-phenoxy-

Structural Information

Molecular Formula
C18H13BrO2
SMILES
C1=CC=C(C=C1)OC2=CC(=CC=C2)OC3=CC(=CC=C3)Br
InChI
InChI=1S/C18H13BrO2/c19-14-6-4-9-16(12-14)21-18-11-5-10-17(13-18)20-15-7-2-1-3-8-15/h1-13H
InChIKey
MQEMLKFTHRALDW-UHFFFAOYSA-N
Compound name
1-bromo-3-(3-phenoxyphenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

340.0099 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.01718 170.9
[M+Na]+ 362.99912 181.2
[M-H]- 339.00262 182.7
[M+NH4]+ 358.04372 187.6
[M+K]+ 378.97306 169.6
[M+H-H2O]+ 323.00716 168.9
[M+HCOO]- 385.00810 192.9
[M+CH3COO]- 399.02375 184.6
[M+Na-2H]- 360.98457 178.2
[M]+ 340.00935 190.6
[M]- 340.01045 190.6
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