CID 2802462

Mn-64

Structural Information

Molecular Formula
C18H16O2
SMILES
CC(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2
InChI
InChI=1S/C18H16O2/c1-12(2)13-7-9-14(10-8-13)18-11-16(19)15-5-3-4-6-17(15)20-18/h3-12H,1-2H3
InChIKey
PYTOHIUBXSJKQH-UHFFFAOYSA-N
Compound name
2-(4-propan-2-ylphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

49
Patents

264.11502 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.12230 158.9
[M+Na]+ 287.10424 176.5
[M+NH4]+ 282.14884 168.7
[M+K]+ 303.07818 167.8
[M-H]- 263.10774 166.3
[M+Na-2H]- 285.08969 168.7
[M]+ 264.11447 163.9
[M]- 264.11557 163.9
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