CID 9159

13h-dibenzo(a,g)fluorene

Structural Information

Molecular Formula
C21H14
SMILES
C1C2=C(C3=C1C4=CC=CC=C4C=C3)C5=CC=CC=C5C=C2
InChI
InChI=1S/C21H14/c1-3-7-17-14(5-1)11-12-19-20(17)13-16-10-9-15-6-2-4-8-18(15)21(16)19/h1-12H,13H2
InChIKey
QEHKXCNHQCUFRW-UHFFFAOYSA-N
Compound name
pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

266.10956 Da
Monoisotopic Mass

6.9
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

literature stripe

Patent stripe

patents stripe