CID 5198213

55090-29-4

Structural Information

Molecular Formula
C21H16O
SMILES
C1=CC=C(C=C1)C2(C3=CC=CC=C3C=CC4=CC=CC=C42)O
InChI
InChI=1S/C21H16O/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/h1-15,22H
InChIKey
QVUTWVSJWLADQZ-UHFFFAOYSA-N
Compound name
2-phenyltricyclo[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

0
References

2
Patents

284.12012 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.12740 169.4
[M+Na]+ 307.10934 177.5
[M-H]- 283.11284 178.0
[M+NH4]+ 302.15394 187.3
[M+K]+ 323.08328 174.3
[M+H-H2O]+ 267.11738 163.6
[M+HCOO]- 329.11832 189.1
[M+CH3COO]- 343.13397 180.7
[M+Na-2H]- 305.09479 177.7
[M]+ 284.11957 166.0
[M]- 284.12067 166.0
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