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 152.7
[M+Na]+ 263.10426 161.6
[M-H]- 239.10776 155.8
[M+NH4]+ 258.14886 171.7
[M+K]+ 279.07820 156.2
[M+H-H2O]+ 223.11230 146.6
[M+HCOO]- 285.11324 170.4
[M+CH3COO]- 299.12889 164.7
[M+Na-2H]- 261.08971 158.8
[M]+ 240.11449 151.9
[M]- 240.11559 151.9
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.