CID 92020

1,4-dihydroanthracene-9,10-diol

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
2
Annotation Hits

0
References

400
Patents

212.08372 Da
Monoisotopic Mass

3.5
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

patents stripe