CID 3088264

6,7,8,9-tetrahydro-alpha-phenylnaphtho(2,1-b)furan-2-methanol

Structural Information

Molecular Formula
C19H18O2
SMILES
C1CCC2=C(C1)C=CC3=C2C=C(O3)C(C4=CC=CC=C4)O
InChI
InChI=1S/C19H18O2/c20-19(14-7-2-1-3-8-14)18-12-16-15-9-5-4-6-13(15)10-11-17(16)21-18/h1-3,7-8,10-12,19-20H,4-6,9H2
InChIKey
UOEHWISKCNLRGZ-UHFFFAOYSA-N
Compound name
phenyl(6,7,8,9-tetrahydrobenzo[e][1]benzofuran-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.13068 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13796 162.5
[M+Na]+ 301.11990 169.8
[M-H]- 277.12340 170.3
[M+NH4]+ 296.16450 180.1
[M+K]+ 317.09384 165.5
[M+H-H2O]+ 261.12794 155.6
[M+HCOO]- 323.12888 181.1
[M+CH3COO]- 337.14453 174.3
[M+Na-2H]- 299.10535 167.7
[M]+ 278.13013 161.9
[M]- 278.13123 161.9
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.