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]+ 263.10665 156.2
[M+Na]+ 285.08859 165.4
[M-H]- 261.09209 160.3
[M+NH4]+ 280.13319 174.9
[M+K]+ 301.06253 158.9
[M+H-H2O]+ 245.09663 149.3
[M+HCOO]- 307.09757 172.9
[M+CH3COO]- 321.11322 167.9
[M+Na-2H]- 283.07404 164.3
[M]+ 262.09882 154.7
[M]- 262.09992 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.