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

4216
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

literature stripe

Patent stripe

patents stripe