CID 5849052

1,3-di(1,1'-biphenyl)-4-yl-2-propen-1-one

Structural Information

Molecular Formula
C27H20O
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)/C=C/C(=O)C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H20O/c28-27(26-18-16-25(17-19-26)23-9-5-2-6-10-23)20-13-21-11-14-24(15-12-21)22-7-3-1-4-8-22/h1-20H/b20-13+
InChIKey
GTJVCHVSXJDZSX-DEDYPNTBSA-N
Compound name
(E)-1,3-bis(4-phenylphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

360.15143 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.15871 190.3
[M+Na]+ 383.14065 195.7
[M-H]- 359.14415 201.9
[M+NH4]+ 378.18525 201.2
[M+K]+ 399.11459 187.6
[M+H-H2O]+ 343.14869 179.1
[M+HCOO]- 405.14963 211.8
[M+CH3COO]- 419.16528 199.9
[M+Na-2H]- 381.12610 193.1
[M]+ 360.15088 187.9
[M]- 360.15198 187.9
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