CID 71401909

2'-bromo-2,4,6-trimethoxy-1,1'-biphenyl

Structural Information

Molecular Formula
C15H15BrO3
SMILES
COC1=CC(=C(C(=C1)OC)C2=CC=CC=C2Br)OC
InChI
InChI=1S/C15H15BrO3/c1-17-10-8-13(18-2)15(14(9-10)19-3)11-6-4-5-7-12(11)16/h4-9H,1-3H3
InChIKey
AFNIHMFKOSVKDT-UHFFFAOYSA-N
Compound name
2-(2-bromophenyl)-1,3,5-trimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.02045 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.02773 163.5
[M+Na]+ 345.00967 175.6
[M-H]- 321.01317 173.2
[M+NH4]+ 340.05427 182.0
[M+K]+ 360.98361 165.1
[M+H-H2O]+ 305.01771 162.2
[M+HCOO]- 367.01865 185.4
[M+CH3COO]- 381.03430 204.7
[M+Na-2H]- 342.99512 169.0
[M]+ 322.01990 187.0
[M]- 322.02100 187.0
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.