CID 520487

1,4-diphenoxybenzene

Structural Information

Molecular Formula
C18H14O2
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)OC3=CC=CC=C3
InChI
InChI=1S/C18H14O2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-14H
InChIKey
UVGPELGZPWDPFP-UHFFFAOYSA-N
Compound name
1,4-diphenoxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

4749
Patents

262.09937 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.10665 159.1
[M+Na]+ 285.08859 166.1
[M-H]- 261.09209 168.6
[M+NH4]+ 280.13319 174.9
[M+K]+ 301.06253 161.7
[M+H-H2O]+ 245.09663 150.1
[M+HCOO]- 307.09757 183.8
[M+CH3COO]- 321.11322 171.6
[M+Na-2H]- 283.07404 166.6
[M]+ 262.09882 159.9
[M]- 262.09992 159.9
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