CID 146189

7,12-dimethylbenz(a)anthracene-5,6-diol

Structural Information

Molecular Formula
C20H16O2
SMILES
CC1=C2C3=CC=CC=C3C(=C(C2=C(C4=CC=CC=C14)C)O)O
InChI
InChI=1S/C20H16O2/c1-11-13-7-3-4-8-14(13)12(2)18-17(11)15-9-5-6-10-16(15)19(21)20(18)22/h3-10,21-22H,1-2H3
InChIKey
HJPAZBVZYGHHPT-UHFFFAOYSA-N
Compound name
7,12-dimethylbenzo[a]anthracene-5,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.11502 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.12230 165.8
[M+Na]+ 311.10424 184.8
[M+NH4]+ 306.14884 176.5
[M+K]+ 327.07818 174.8
[M-H]- 287.10774 171.3
[M+Na-2H]- 309.08969 173.6
[M]+ 288.11447 170.6
[M]- 288.11557 170.6
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

No patent data available for this compound.