CID 75565

1,3-bis(3-phenoxyphenoxy)benzene

Structural Information

Molecular Formula
C30H22O4
SMILES
C1=CC=C(C=C1)OC2=CC(=CC=C2)OC3=CC(=CC=C3)OC4=CC=CC(=C4)OC5=CC=CC=C5
InChI
InChI=1S/C30H22O4/c1-3-10-23(11-4-1)31-25-14-7-16-27(20-25)33-29-18-9-19-30(22-29)34-28-17-8-15-26(21-28)32-24-12-5-2-6-13-24/h1-22H
InChIKey
KOKDSALTQSQPDH-UHFFFAOYSA-N
Compound name
1,3-bis(3-phenoxyphenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

293
Patents

446.1518 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.159076 211.1
[M+Na]+ 469.141018 216.0
[M-H]- 445.144524 225.3
[M+NH4]+ 464.185623 217.6
[M+K]+ 485.114958 210.2
[M+H-H2O]+ 429.149060 197.1
[M+HCOO]- 491.150001 233.1
[M+CH3COO]- 505.165651 219.4
[M+Na-2H]- 467.126466 214.7
[M]+ 446.15125142 212.7
[M]- 446.15234858 212.7
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