CID 9145

Naphtho(2,1-a)fluoranthene

Structural Information

Molecular Formula
C24H14
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=C4C=CC=C5C4=C3C6=CC=CC=C65
InChI
InChI=1S/C24H14/c1-2-8-17-15(6-1)12-13-21-22(17)14-16-7-5-11-19-18-9-3-4-10-20(18)24(21)23(16)19/h1-14H
InChIKey
ZUAGUFSITPHNKC-UHFFFAOYSA-N
Compound name
hexacyclo[11.10.1.02,11.05,10.017,24.018,23]tetracosa-1(24),2(11),3,5,7,9,12,14,16,18,20,22-dodecaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

302.10956 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.11684 168.7
[M+Na]+ 325.09878 180.1
[M-H]- 301.10228 176.9
[M+NH4]+ 320.14338 190.4
[M+K]+ 341.07272 171.2
[M+H-H2O]+ 285.10682 159.8
[M+HCOO]- 347.10776 188.5
[M+CH3COO]- 361.12341 181.1
[M+Na-2H]- 323.08423 177.9
[M]+ 302.10901 172.0
[M]- 302.11011 172.0
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