CID 106974

9,10-anthracenediol, ethyl-9,10-dihydro-

Structural Information

Molecular Formula
C16H16O2
SMILES
CCC1=C2C(C3=CC=CC=C3C(C2=CC=C1)O)O
InChI
InChI=1S/C16H16O2/c1-2-10-6-5-9-13-14(10)16(18)12-8-4-3-7-11(12)15(13)17/h3-9,15-18H,2H2,1H3
InChIKey
ZPAFNFCCRHYXIS-UHFFFAOYSA-N
Compound name
1-ethyl-9,10-dihydroanthracene-9,10-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.11504 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12232 153.1
[M+Na]+ 263.10426 168.3
[M+NH4]+ 258.14886 163.0
[M+K]+ 279.07820 160.0
[M-H]- 239.10776 156.8
[M+Na-2H]- 261.08971 159.3
[M]+ 240.11449 156.5
[M]- 240.11559 156.5
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.