CID 13766938

Naphtho[2,1-j]fluoranthene

Structural Information

Molecular Formula
C24H14
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C5=CC=CC6=C5C4=CC=C6
InChI
InChI=1S/C24H14/c1-2-8-17-15(5-1)11-12-20-18(17)13-14-21-19-9-3-6-16-7-4-10-22(23(16)19)24(20)21/h1-14H
InChIKey
VLUUZERMKSSBKW-UHFFFAOYSA-N
Compound name
hexacyclo[14.7.1.02,15.03,12.06,11.020,24]tetracosa-1(23),2(15),3(12),4,6,8,10,13,16,18,20(24),21-dodecaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

302.10956 Da
Monoisotopic Mass

7.7
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.