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

3
Patents

240.11504 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.122316 153.2
[M+Na]+ 263.104258 163.1
[M-H]- 239.107764 161.1
[M+NH4]+ 258.148863 175.9
[M+K]+ 279.078198 159.8
[M+H-H2O]+ 223.112300 147.5
[M+HCOO]- 285.113241 174.3
[M+CH3COO]- 299.128891 166.9
[M+Na-2H]- 261.089706 160.7
[M]+ 240.11449142 154.4
[M]- 240.11558858 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