CID 6724

Acenaphthenequinone

Structural Information

Molecular Formula
C12H6O2
SMILES
C1=CC2=C3C(=C1)C(=O)C(=O)C3=CC=C2
InChI
InChI=1S/C12H6O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6H
InChIKey
AFPRJLBZLPBTPZ-UHFFFAOYSA-N
Compound name
acenaphthylene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

25
References

5608
Patents

182.03677 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.04405 133.6
[M+Na]+ 205.02599 144.8
[M-H]- 181.02949 139.5
[M+NH4]+ 200.07059 158.2
[M+K]+ 220.99993 140.9
[M+H-H2O]+ 165.03403 128.7
[M+HCOO]- 227.03497 157.2
[M+CH3COO]- 241.05062 148.9
[M+Na-2H]- 203.01144 141.4
[M]+ 182.03622 136.0
[M]- 182.03732 136.0
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