CID 92021

9,10-anthracenedione, 1,4,4a,9a-tetrahydro-

Structural Information

Molecular Formula
C14H12O2
SMILES
C1C=CCC2C1C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C14H12O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-6,11-12H,7-8H2
InChIKey
XPCZSIPRUSOJFO-UHFFFAOYSA-N
Compound name
1,4,4a,9a-tetrahydroanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

344
Patents

212.08372 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.09100 142.5
[M+Na]+ 235.07294 150.7
[M-H]- 211.07644 147.7
[M+NH4]+ 230.11754 163.3
[M+K]+ 251.04688 146.5
[M+H-H2O]+ 195.08098 136.1
[M+HCOO]- 257.08192 161.5
[M+CH3COO]- 271.09757 155.4
[M+Na-2H]- 233.05839 149.4
[M]+ 212.08317 139.9
[M]- 212.08427 139.9
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