CID 13100

793-06-6

Structural Information

Molecular Formula
C18H18O2
SMILES
CC(=O)C1=CC=C(C=C1)CCC2=CC=C(C=C2)C(=O)C
InChI
InChI=1S/C18H18O2/c1-13(19)17-9-5-15(6-10-17)3-4-16-7-11-18(12-8-16)14(2)20/h5-12H,3-4H2,1-2H3
InChIKey
ZSLCVLSXAOHWBQ-UHFFFAOYSA-N
Compound name
1-[4-[2-(4-acetylphenyl)ethyl]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

266.13068 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.137956 161.8
[M+Na]+ 289.119898 168.5
[M-H]- 265.123404 168.4
[M+NH4]+ 284.164503 178.1
[M+K]+ 305.093838 164.6
[M+H-H2O]+ 249.127940 154.1
[M+HCOO]- 311.128881 183.6
[M+CH3COO]- 325.144531 200.4
[M+Na-2H]- 287.105346 163.9
[M]+ 266.13013142 163.2
[M]- 266.13122858 163.2
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