CID 74223

1,3-bis(4-phenoxyphenoxy)benzene

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

124
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

No literature data available for this compound.

Patent stripe

patents stripe