CID 3458330

109423-33-8

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

657
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 214.4
[M+Na]+ 469.17742 219.7
[M-H]- 445.18092 226.0
[M+NH4]+ 464.22202 222.1
[M+K]+ 485.15136 212.0
[M+H-H2O]+ 429.18546 201.9
[M+HCOO]- 491.18640 235.0
[M+CH3COO]- 505.20205 232.5
[M+Na-2H]- 467.16287 213.5
[M]+ 446.18765 216.0
[M]- 446.18875 216.0
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