CID 197865

2,3-dihydro-1h-benzo(a)cyclopent(h)anthracene

Structural Information

Molecular Formula
C21H16
SMILES
C1CC2=C(C1)C3=CC4=C(C=C3C=C2)C5=CC=CC=C5C=C4
InChI
InChI=1S/C21H16/c1-2-6-18-14(4-1)8-10-16-13-21-17(12-20(16)18)11-9-15-5-3-7-19(15)21/h1-2,4,6,8-13H,3,5,7H2
InChIKey
UWKBDVGBSYVECO-UHFFFAOYSA-N
Compound name
pentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18,20-nonaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1252 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.13248 161.2
[M+Na]+ 291.11442 179.8
[M+NH4]+ 286.15902 174.4
[M+K]+ 307.08836 169.6
[M-H]- 267.11792 168.3
[M+Na-2H]- 289.09987 169.8
[M]+ 268.12465 166.4
[M]- 268.12575 166.4
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

No patent data available for this compound.