CID 83666368

3'-bromo-2,4-dimethoxy-1,1'-biphenyl

Structural Information

Molecular Formula
C14H13BrO2
SMILES
COC1=CC(=C(C=C1)C2=CC(=CC=C2)Br)OC
InChI
InChI=1S/C14H13BrO2/c1-16-12-6-7-13(14(9-12)17-2)10-4-3-5-11(15)8-10/h3-9H,1-2H3
InChIKey
GTJFGMCTJSIGBK-UHFFFAOYSA-N
Compound name
1-(3-bromophenyl)-2,4-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

292.0099 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.01718 156.6
[M+Na]+ 314.99912 168.5
[M-H]- 291.00262 166.2
[M+NH4]+ 310.04372 176.1
[M+K]+ 330.97306 157.6
[M+H-H2O]+ 275.00716 155.7
[M+HCOO]- 337.00810 178.7
[M+CH3COO]- 351.02375 198.9
[M+Na-2H]- 312.98457 163.3
[M]+ 292.00935 178.1
[M]- 292.01045 178.1
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

patents stripe