CID 2058710

1,4-phenylene bis((4-phenoxyphenyl)-methanone)

Structural Information

Molecular Formula
C32H22O4
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)OC5=CC=CC=C5
InChI
InChI=1S/C32H22O4/c33-31(25-15-19-29(20-16-25)35-27-7-3-1-4-8-27)23-11-13-24(14-12-23)32(34)26-17-21-30(22-18-26)36-28-9-5-2-6-10-28/h1-22H
InChIKey
NWJVKSITTJQWCG-UHFFFAOYSA-N
Compound name
[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

410
Patents

470.1518 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.15908 217.5
[M+Na]+ 493.14102 221.2
[M-H]- 469.14452 231.5
[M+NH4]+ 488.18562 222.5
[M+K]+ 509.11496 215.1
[M+H-H2O]+ 453.14906 203.6
[M+HCOO]- 515.15000 237.2
[M+CH3COO]- 529.16565 224.8
[M+Na-2H]- 491.12647 217.9
[M]+ 470.15125 217.3
[M]- 470.15235 217.3
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