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]+ 285.127396 163.3
[M+Na]+ 307.109338 170.0
[M-H]- 283.112844 167.3
[M+NH4]+ 302.153943 184.7
[M+K]+ 323.083278 163.2
[M+H-H2O]+ 267.117380 152.9
[M+HCOO]- 329.118321 176.2
[M+CH3COO]- 343.133971 173.5
[M+Na-2H]- 305.094786 174.5
[M]+ 284.11957142 164.7
[M]- 284.12066858 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