CID 102543

1,3-dihydro-3,3-dimethyl-1-phenylisobenzofuran-1-ol

Structural Information

Molecular Formula
C16H16O2
SMILES
CC1(C2=CC=CC=C2C(O1)(C3=CC=CC=C3)O)C
InChI
InChI=1S/C16H16O2/c1-15(2)13-10-6-7-11-14(13)16(17,18-15)12-8-4-3-5-9-12/h3-11,17H,1-2H3
InChIKey
XNIDDCSFMRIISS-UHFFFAOYSA-N
Compound name
3,3-dimethyl-1-phenyl-2-benzofuran-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

240.11504 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12232 153.2
[M+Na]+ 263.10426 163.1
[M-H]- 239.10776 161.1
[M+NH4]+ 258.14886 175.9
[M+K]+ 279.07820 159.8
[M+H-H2O]+ 223.11230 147.5
[M+HCOO]- 285.11324 174.3
[M+CH3COO]- 299.12889 166.9
[M+Na-2H]- 261.08971 160.7
[M]+ 240.11449 154.4
[M]- 240.11559 154.4
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

patents stripe