CID 617993

4,4'-diethoxybiphenyl

Structural Information

Molecular Formula
C16H18O2
SMILES
CCOC1=CC=C(C=C1)C2=CC=C(C=C2)OCC
InChI
InChI=1S/C16H18O2/c1-3-17-15-9-5-13(6-10-15)14-7-11-16(12-8-14)18-4-2/h5-12H,3-4H2,1-2H3
InChIKey
WTLUUYXFCHWUJK-UHFFFAOYSA-N
Compound name
1-ethoxy-4-(4-ethoxyphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

242.13068 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.13796 155.2
[M+Na]+ 265.11990 162.8
[M-H]- 241.12340 162.0
[M+NH4]+ 260.16450 172.9
[M+K]+ 281.09384 159.6
[M+H-H2O]+ 225.12794 147.6
[M+HCOO]- 287.12888 179.4
[M+CH3COO]- 301.14453 194.4
[M+Na-2H]- 263.10535 160.8
[M]+ 242.13013 158.6
[M]- 242.13123 158.6
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