CID 12158287

73003-65-3

Structural Information

Molecular Formula
C17H18O
SMILES
CCC(C)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H18O/c1-3-13(2)14-9-11-16(12-10-14)17(18)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3
InChIKey
UOOYYNLYCWHQKS-UHFFFAOYSA-N
Compound name
(4-butan-2-ylphenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

238.13577 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.14305 156.5
[M+Na]+ 261.12499 171.2
[M+NH4]+ 256.16959 165.7
[M+K]+ 277.09893 163.0
[M-H]- 237.12849 161.5
[M+Na-2H]- 259.11044 166.1
[M]+ 238.13522 160.2
[M]- 238.13632 160.2
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