CID 627429

Dihydrocoronene

Structural Information

Molecular Formula
C24H14
SMILES
C1CC2=C3C4=C1C=CC5=C4C6=C(C=C5)C=CC7=C6C3=C(C=C2)C=C7
InChI
InChI=1S/C24H14/c1-2-14-5-6-16-9-11-18-12-10-17-8-7-15-4-3-13(1)19-20(14)22(16)24(18)23(17)21(15)19/h1-9,11H,10,12H2
InChIKey
QTOFPEIEEXFFFK-UHFFFAOYSA-N
Compound name
1,2-dihydrocoronene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

302.10956 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.116836 167.8
[M+Na]+ 325.098778 176.0
[M-H]- 301.102284 172.4
[M+NH4]+ 320.143383 188.4
[M+K]+ 341.072718 168.1
[M+H-H2O]+ 285.106820 155.7
[M+HCOO]- 347.107761 181.2
[M+CH3COO]- 361.123411 178.0
[M+Na-2H]- 323.084226 180.2
[M]+ 302.10901142 172.6
[M]- 302.11010858 172.6
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