CID 73698

1,4-dimethylanthraquinone

Structural Information

Molecular Formula
C16H12O2
SMILES
CC1=C2C(=C(C=C1)C)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C16H12O2/c1-9-7-8-10(2)14-13(9)15(17)11-5-3-4-6-12(11)16(14)18/h3-8H,1-2H3
InChIKey
DVFAVJDEPNXAME-UHFFFAOYSA-N
Compound name
1,4-dimethylanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

3575
Patents

236.08372 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.09100 148.8
[M+Na]+ 259.07294 160.1
[M-H]- 235.07644 155.3
[M+NH4]+ 254.11754 169.5
[M+K]+ 275.04688 155.3
[M+H-H2O]+ 219.08098 142.5
[M+HCOO]- 281.08192 170.0
[M+CH3COO]- 295.09757 196.2
[M+Na-2H]- 257.05839 155.3
[M]+ 236.08317 150.6
[M]- 236.08427 150.6
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