CID 76911

1,3-diphenoxybenzene

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

3
References

1027
Patents

262.09937 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.106646 159.1
[M+Na]+ 285.088588 166.1
[M-H]- 261.092094 168.6
[M+NH4]+ 280.133193 174.9
[M+K]+ 301.062528 161.7
[M+H-H2O]+ 245.096630 150.1
[M+HCOO]- 307.097571 183.8
[M+CH3COO]- 321.113221 171.6
[M+Na-2H]- 283.074036 166.6
[M]+ 262.09882142 159.9
[M]- 262.09991858 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