CID 3087210

5-benzofuranol, 2-phenyl-4,6,7-trimethyl-

Structural Information

Molecular Formula
C17H16O2
SMILES
CC1=C(C2=C(C=C(O2)C3=CC=CC=C3)C(=C1O)C)C
InChI
InChI=1S/C17H16O2/c1-10-11(2)17-14(12(3)16(10)18)9-15(19-17)13-7-5-4-6-8-13/h4-9,18H,1-3H3
InChIKey
DABSBXLLQUSLCP-UHFFFAOYSA-N
Compound name
4,6,7-trimethyl-2-phenyl-1-benzofuran-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.11504 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.12232 155.9
[M+Na]+ 275.10426 168.0
[M-H]- 251.10776 164.8
[M+NH4]+ 270.14886 175.1
[M+K]+ 291.07820 164.0
[M+H-H2O]+ 235.11230 150.1
[M+HCOO]- 297.11324 179.3
[M+CH3COO]- 311.12889 170.4
[M+Na-2H]- 273.08971 160.6
[M]+ 252.11449 160.8
[M]- 252.11559 160.8
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.