CID 47885

Benz(a)anthracen-2-ol, 7,12-dimethyl-

Structural Information

Molecular Formula
C20H16O
SMILES
CC1=C2C=CC3=C(C2=C(C4=CC=CC=C14)C)C=C(C=C3)O
InChI
InChI=1S/C20H16O/c1-12-16-5-3-4-6-17(16)13(2)20-18(12)10-8-14-7-9-15(21)11-19(14)20/h3-11,21H,1-2H3
InChIKey
SOUMNXRWBUATRC-UHFFFAOYSA-N
Compound name
7,12-dimethylbenzo[a]anthracen-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

272.12012 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.12740 161.7
[M+Na]+ 295.10934 173.4
[M-H]- 271.11284 167.8
[M+NH4]+ 290.15394 181.1
[M+K]+ 311.08328 166.4
[M+H-H2O]+ 255.11738 154.2
[M+HCOO]- 317.11832 181.7
[M+CH3COO]- 331.13397 174.5
[M+Na-2H]- 293.09479 170.0
[M]+ 272.11957 164.3
[M]- 272.12067 164.3
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.