CID 257426

10454-62-3

Structural Information

Molecular Formula
C18H16O3
SMILES
CC(C)C1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)O
InChI
InChI=1S/C18H16O3/c1-11(2)18-16(14-5-3-4-6-15(14)21-18)17(20)12-7-9-13(19)10-8-12/h3-11,19H,1-2H3
InChIKey
XAQBOJLRKOBRFJ-UHFFFAOYSA-N
Compound name
(4-hydroxyphenyl)-(2-propan-2-yl-1-benzofuran-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.10995 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.11723 163.8
[M+Na]+ 303.09917 173.0
[M-H]- 279.10267 171.9
[M+NH4]+ 298.14377 180.8
[M+K]+ 319.07311 169.8
[M+H-H2O]+ 263.10721 157.4
[M+HCOO]- 325.10815 185.3
[M+CH3COO]- 339.12380 199.4
[M+Na-2H]- 301.08462 166.9
[M]+ 280.10940 167.7
[M]- 280.11050 167.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.