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

literature stripe

Patent stripe

patents stripe