CID 69918

4-acetylbibenzyl

Structural Information

Molecular Formula
C16H16O
SMILES
CC(=O)C1=CC=C(C=C1)CCC2=CC=CC=C2
InChI
InChI=1S/C16H16O/c1-13(17)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,9-12H,7-8H2,1H3
InChIKey
KIRXEYNVGWVPRO-UHFFFAOYSA-N
Compound name
1-[4-(2-phenylethyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

224.12012 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.12740 151.0
[M+Na]+ 247.10934 157.8
[M-H]- 223.11284 157.5
[M+NH4]+ 242.15394 169.0
[M+K]+ 263.08328 153.8
[M+H-H2O]+ 207.11738 143.7
[M+HCOO]- 269.11832 174.2
[M+CH3COO]- 283.13397 191.2
[M+Na-2H]- 245.09479 156.1
[M]+ 224.11957 151.3
[M]- 224.12067 151.3
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