CID 120193

1h-benzo(a)cyclopent(h)anthracene

Structural Information

Molecular Formula
C21H14
SMILES
C1C=CC2=C1C3=CC4=C(C=C3C=C2)C5=CC=CC=C5C=C4
InChI
InChI=1S/C21H14/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/h1-6,8-13H,7H2
InChIKey
CIRVIIOSCIBXLZ-UHFFFAOYSA-N
Compound name
pentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14,16,18,20-decaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

266.10956 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11684 159.3
[M+Na]+ 289.09878 170.5
[M-H]- 265.10228 167.2
[M+NH4]+ 284.14338 181.6
[M+K]+ 305.07272 162.5
[M+H-H2O]+ 249.10682 151.7
[M+HCOO]- 311.10776 180.8
[M+CH3COO]- 325.12341 172.5
[M+Na-2H]- 287.08423 168.3
[M]+ 266.10901 161.1
[M]- 266.11011 161.1
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