CID 75040

4-benzoylbiphenyl

Structural Information

Molecular Formula
C19H14O
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H14O/c20-19(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H
InChIKey
LYXOWKPVTCPORE-UHFFFAOYSA-N
Compound name
phenyl-(4-phenylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

32802
Patents

258.10446 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.111736 159.2
[M+Na]+ 281.093678 165.9
[M-H]- 257.097184 168.7
[M+NH4]+ 276.138283 175.1
[M+K]+ 297.067618 160.6
[M+H-H2O]+ 241.101720 150.5
[M+HCOO]- 303.102661 182.6
[M+CH3COO]- 317.118311 171.4
[M+Na-2H]- 279.079126 165.1
[M]+ 258.10391142 157.7
[M]- 258.10500858 157.7
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