CID 67487

13h-indeno[1,2-b]anthracene

Structural Information

Molecular Formula
C21H14
SMILES
C1C2=CC=CC=C2C3=CC4=CC5=CC=CC=C5C=C4C=C31
InChI
InChI=1S/C21H14/c1-2-6-15-10-18-13-21-19(12-17(18)9-14(15)5-1)11-16-7-3-4-8-20(16)21/h1-10,12-13H,11H2
InChIKey
WQIFERDZMYSWOI-UHFFFAOYSA-N
Compound name
pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

48
Patents

266.10956 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.116836 159.3
[M+Na]+ 289.098778 170.5
[M-H]- 265.102284 167.2
[M+NH4]+ 284.143383 181.6
[M+K]+ 305.072718 162.5
[M+H-H2O]+ 249.106820 151.7
[M+HCOO]- 311.107761 180.8
[M+CH3COO]- 325.123411 172.5
[M+Na-2H]- 287.084226 168.3
[M]+ 266.10901142 161.1
[M]- 266.11010858 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

literature stripe

Patent stripe

patents stripe