CID 95230

4-propionylbiphenyl

Structural Information

Molecular Formula
C15H14O
SMILES
CCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C15H14O/c1-2-15(16)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3
InChIKey
JMBGDQSXJHLFTO-UHFFFAOYSA-N
Compound name
1-(4-phenylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

196
Patents

210.10446 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.11174 147.5
[M+Na]+ 233.09368 163.0
[M+NH4]+ 228.13828 157.2
[M+K]+ 249.06762 154.4
[M-H]- 209.09718 152.8
[M+Na-2H]- 231.07913 158.0
[M]+ 210.10391 151.4
[M]- 210.10501 151.4
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