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

367
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

literature stripe

Patent stripe

patents stripe