CID 14588

Dibenzosuberol

Structural Information

Molecular Formula
C15H14O
SMILES
C1CC2=CC=CC=C2C(C3=CC=CC=C31)O
InChI
InChI=1S/C15H14O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2
InChIKey
POAVRNPUPPJLKZ-UHFFFAOYSA-N
Compound name
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

285
Patents

210.10446 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.11174 143.0
[M+Na]+ 233.09368 149.9
[M-H]- 209.09718 148.4
[M+NH4]+ 228.13828 162.3
[M+K]+ 249.06762 149.1
[M+H-H2O]+ 193.10172 139.2
[M+HCOO]- 255.10266 162.2
[M+CH3COO]- 269.11831 155.4
[M+Na-2H]- 231.07913 151.1
[M]+ 210.10391 138.7
[M]- 210.10501 138.7
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