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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	213.090996	143.1
[M+Na]+	235.072938	152.0
[M-H]-	211.076444	146.3
[M+NH4]+	230.117543	162.9
[M+K]+	251.046878	147.0
[M+H-H2O]+	195.080980	137.3
[M+HCOO]-	257.081921	161.6
[M+CH3COO]-	271.097571	155.7
[M+Na-2H]-	233.058386	151.2
[M]+	212.08317142	141.3
[M]-	212.08426858	141.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.