CID 179115

1,2-anthracenediol, 1,2-dihydro-, (1r-trans)-

Structural Information

Molecular Formula
C14H12O2
SMILES
C1=CC=C2C=C3[C@H]([C@@H](C=CC3=CC2=C1)O)O
InChI
InChI=1S/C14H12O2/c15-13-6-5-11-7-9-3-1-2-4-10(9)8-12(11)14(13)16/h1-8,13-16H/t13-,14-/m1/s1
InChIKey
UJETWGFPSGKAAS-ZIAGYGMSSA-N
Compound name
(1R,2R)-1,2-dihydroanthracene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

212.08372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.09100 144.0
[M+Na]+ 235.07294 159.3
[M+NH4]+ 230.11754 154.3
[M+K]+ 251.04688 151.3
[M-H]- 211.07644 147.8
[M+Na-2H]- 233.05839 151.0
[M]+ 212.08317 147.4
[M]- 212.08427 147.4
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.