CID 82577

Dibenzosuberenol

Structural Information

Molecular Formula
C15H12O
SMILES
C1=CC=C2C(C3=CC=CC=C3C=CC2=C1)O
InChI
InChI=1S/C15H12O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-10,15-16H
InChIKey
SRIISEYIFDTFRZ-UHFFFAOYSA-N
Compound name
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

265
Patents

208.08882 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.096096 142.1
[M+Na]+ 231.078038 150.1
[M-H]- 207.081544 148.0
[M+NH4]+ 226.122643 161.7
[M+K]+ 247.051978 149.2
[M+H-H2O]+ 191.086080 138.5
[M+HCOO]- 253.087021 162.7
[M+CH3COO]- 267.102671 155.0
[M+Na-2H]- 229.063486 151.2
[M]+ 208.08827142 139.2
[M]- 208.08936858 139.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe