CID 3630355

5-phenyl-10,11-dihydro-5h-dibenzo(a,d)cyclohepten-5-ol

Structural Information

Molecular Formula
C21H18O
SMILES
C1CC2=CC=CC=C2C(C3=CC=CC=C31)(C4=CC=CC=C4)O
InChI
InChI=1S/C21H18O/c22-21(18-10-2-1-3-11-18)19-12-6-4-8-16(19)14-15-17-9-5-7-13-20(17)21/h1-13,22H,14-15H2
InChIKey
CAIIMJUORNLXOK-UHFFFAOYSA-N
Compound name
2-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

286.13577 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.14305 169.9
[M+Na]+ 309.12499 176.9
[M-H]- 285.12849 178.0
[M+NH4]+ 304.16959 187.6
[M+K]+ 325.09893 173.8
[M+H-H2O]+ 269.13303 164.0
[M+HCOO]- 331.13397 188.2
[M+CH3COO]- 345.14962 180.7
[M+Na-2H]- 307.11044 177.3
[M]+ 286.13522 165.1
[M]- 286.13632 165.1
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