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]+ 241.122316 152.7
[M+Na]+ 263.104258 161.6
[M-H]- 239.107764 155.8
[M+NH4]+ 258.148863 171.7
[M+K]+ 279.078198 156.2
[M+H-H2O]+ 223.112300 146.6
[M+HCOO]- 285.113241 170.4
[M+CH3COO]- 299.128891 164.7
[M+Na-2H]- 261.089706 158.8
[M]+ 240.11449142 151.9
[M]- 240.11558858 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.