CID 107309

Benz(a)anthracene-7,12-diol, 7,12-dihydro-

Structural Information

Molecular Formula
C18H14O2
SMILES
C1=CC=C2C(=C1)C=CC3=C2C(C4=CC=CC=C4C3O)O
InChI
InChI=1S/C18H14O2/c19-17-13-7-3-4-8-14(13)18(20)16-12-6-2-1-5-11(12)9-10-15(16)17/h1-10,17-20H
InChIKey
AYYXQZYAKKRSHB-UHFFFAOYSA-N
Compound name
7,12-dihydrobenzo[a]anthracene-7,12-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.09937 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.106646 156.2
[M+Na]+ 285.088588 165.4
[M-H]- 261.092094 160.3
[M+NH4]+ 280.133193 174.9
[M+K]+ 301.062528 158.9
[M+H-H2O]+ 245.096630 149.3
[M+HCOO]- 307.097571 172.9
[M+CH3COO]- 321.113221 167.9
[M+Na-2H]- 283.074036 164.3
[M]+ 262.09882142 154.7
[M]- 262.09991858 154.7
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.