CID 83299

13281-14-6

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

43
Patents

446.1518 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.15908 211.1
[M+Na]+ 469.14102 216.0
[M-H]- 445.14452 225.3
[M+NH4]+ 464.18562 217.6
[M+K]+ 485.11496 210.2
[M+H-H2O]+ 429.14906 197.1
[M+HCOO]- 491.15000 233.1
[M+CH3COO]- 505.16565 219.4
[M+Na-2H]- 467.12647 214.7
[M]+ 446.15125 212.7
[M]- 446.15235 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