CID 78851

1-(1,1':2',1''-terphenyl)-4-ylethan-1-one

Structural Information

Molecular Formula
C20H16O
SMILES
CC(=O)C1=CC=C(C=C1)C2=CC=CC=C2C3=CC=CC=C3
InChI
InChI=1S/C20H16O/c1-15(21)16-11-13-18(14-12-16)20-10-6-5-9-19(20)17-7-3-2-4-8-17/h2-14H,1H3
InChIKey
DVQIELBBPKJSLS-UHFFFAOYSA-N
Compound name
1-[4-(2-phenylphenyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

272.12012 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.127396 163.5
[M+Na]+ 295.109338 170.7
[M-H]- 271.112844 173.2
[M+NH4]+ 290.153943 179.1
[M+K]+ 311.083278 165.2
[M+H-H2O]+ 255.117380 154.7
[M+HCOO]- 317.118321 186.5
[M+CH3COO]- 331.133971 175.6
[M+Na-2H]- 293.094786 168.1
[M]+ 272.11957142 162.7
[M]- 272.12066858 162.7
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