CID 92020

9,10-anthracenediol, 1,4-dihydro-

Structural Information

Molecular Formula
C14H12O2
SMILES
C1C=CCC2=C(C3=CC=CC=C3C(=C21)O)O
InChI
InChI=1S/C14H12O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-6,15-16H,7-8H2
InChIKey
XNGBCVRGPNWAGY-UHFFFAOYSA-N
Compound name
1,4-dihydroanthracene-9,10-diol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

313
Patents

212.08372 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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

patents stripe