CID 81019

2,3-dimethylanthraquinone

Structural Information

Molecular Formula
C16H12O2
SMILES
CC1=CC2=C(C=C1C)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C16H12O2/c1-9-7-13-14(8-10(9)2)16(18)12-6-4-3-5-11(12)15(13)17/h3-8H,1-2H3
InChIKey
KIJPZYXCIHZVGP-UHFFFAOYSA-N
Compound name
2,3-dimethylanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3444
Patents

236.08372 Da
Monoisotopic Mass

4.1
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.