CID 3458330

Bis[4-(2-prop-1-enylphenoxy)phenyl]methanone

Structural Information

Molecular Formula
C31H26O3
SMILES
CC=CC1=CC=CC=C1OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4C=CC
InChI
InChI=1S/C31H26O3/c1-3-9-23-11-5-7-13-29(23)33-27-19-15-25(16-20-27)31(32)26-17-21-28(22-18-26)34-30-14-8-6-12-24(30)10-4-2/h3-22H,1-2H3
InChIKey
JRZSSQRNBKDVDD-UHFFFAOYSA-N
Compound name
bis[4-(2-prop-1-enylphenoxy)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

647
Patents

446.1882 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.19548 214.2
[M+Na]+ 469.17742 232.3
[M+NH4]+ 464.22202 221.6
[M+K]+ 485.15136 220.4
[M-H]- 445.18092 223.3
[M+Na-2H]- 467.16287 226.5
[M]+ 446.18765 219.7
[M]- 446.18875 219.7
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