CID 102131

1469-57-4

Structural Information

Molecular Formula
C21H16O
SMILES
C1=CC=C2C(=C1)C3C4=CC=CC=C4C2(C5=CC=CC=C35)CO
InChI
InChI=1S/C21H16O/c22-13-21-17-10-4-1-7-14(17)20(15-8-2-5-11-18(15)21)16-9-3-6-12-19(16)21/h1-12,20,22H,13H2
InChIKey
CQVGCHLOTZBAEO-UHFFFAOYSA-N
Compound name
1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

284.12012 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.12740 163.3
[M+Na]+ 307.10934 170.0
[M-H]- 283.11284 167.3
[M+NH4]+ 302.15394 184.7
[M+K]+ 323.08328 163.2
[M+H-H2O]+ 267.11738 152.9
[M+HCOO]- 329.11832 176.2
[M+CH3COO]- 343.13397 173.5
[M+Na-2H]- 305.09479 174.5
[M]+ 284.11957 164.7
[M]- 284.12067 164.7
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