CID 180933

100900-16-1

Structural Information

Molecular Formula
C18H10O2
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C(=O)C=CC4=O
InChI
InChI=1S/C18H10O2/c19-16-9-10-17(20)18-14-6-5-11-3-1-2-4-12(11)13(14)7-8-15(16)18/h1-10H
InChIKey
UORKIKBNUWJNJF-UHFFFAOYSA-N
Compound name
chrysene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

328
Patents

258.06808 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07536 153.6
[M+Na]+ 281.05730 165.1
[M-H]- 257.06080 160.8
[M+NH4]+ 276.10190 173.7
[M+K]+ 297.03124 159.0
[M+H-H2O]+ 241.06534 145.8
[M+HCOO]- 303.06628 175.0
[M+CH3COO]- 317.08193 167.1
[M+Na-2H]- 279.04275 163.3
[M]+ 258.06753 155.5
[M]- 258.06863 155.5
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.