CID 266846

3,3',4,4'-tetramethoxybiphenyl

Structural Information

Molecular Formula
C16H18O4
SMILES
COC1=C(C=C(C=C1)C2=CC(=C(C=C2)OC)OC)OC
InChI
InChI=1S/C16H18O4/c1-17-13-7-5-11(9-15(13)19-3)12-6-8-14(18-2)16(10-12)20-4/h5-10H,1-4H3
InChIKey
ZADYUYOJVLZYAQ-UHFFFAOYSA-N
Compound name
4-(3,4-dimethoxyphenyl)-1,2-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

274.1205 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.12778 160.7
[M+Na]+ 297.10972 169.9
[M-H]- 273.11322 168.3
[M+NH4]+ 292.15432 177.5
[M+K]+ 313.08366 168.1
[M+H-H2O]+ 257.11776 153.0
[M+HCOO]- 319.11870 185.3
[M+CH3COO]- 333.13435 200.8
[M+Na-2H]- 295.09517 165.0
[M]+ 274.11995 167.9
[M]- 274.12105 167.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe