CID 15040359

3,3'-dibromo-4,4'-dimethoxybiphenyl

Structural Information

Molecular Formula
C14H12Br2O2
SMILES
COC1=C(C=C(C=C1)C2=CC(=C(C=C2)OC)Br)Br
InChI
InChI=1S/C14H12Br2O2/c1-17-13-5-3-9(7-11(13)15)10-4-6-14(18-2)12(16)8-10/h3-8H,1-2H3
InChIKey
VUOOJGFHEDZGEA-UHFFFAOYSA-N
Compound name
2-bromo-4-(3-bromo-4-methoxyphenyl)-1-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

369.9204 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.92768 157.1
[M+Na]+ 392.90962 168.1
[M-H]- 368.91312 166.5
[M+NH4]+ 387.95422 174.3
[M+K]+ 408.88356 153.4
[M+H-H2O]+ 352.91766 164.5
[M+HCOO]- 414.91860 173.6
[M+CH3COO]- 428.93425 214.4
[M+Na-2H]- 390.89507 162.8
[M]+ 369.91985 193.6
[M]- 369.92095 193.6
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