CID 9543172

(3s,4r)-3,4-dihydroxy-3,4-dihydro-9-fluorenone

Structural Information

Molecular Formula
C13H10O3
SMILES
C1=CC=C2C(=C1)C3=C(C2=O)C=C[C@@H]([C@@H]3O)O
InChI
InChI=1S/C13H10O3/c14-10-6-5-9-11(13(10)16)7-3-1-2-4-8(7)12(9)15/h1-6,10,13-14,16H/t10-,13-/m0/s1
InChIKey
NAUFEDHPWOGKDO-GWCFXTLKSA-N
Compound name
(3S,4R)-3,4-dihydroxy-3,4-dihydrofluoren-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

214.06299 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.07027 142.7
[M+Na]+ 237.05221 153.1
[M-H]- 213.05571 146.5
[M+NH4]+ 232.09681 164.6
[M+K]+ 253.02615 148.3
[M+H-H2O]+ 197.06025 138.1
[M+HCOO]- 259.06119 162.7
[M+CH3COO]- 273.07684 156.2
[M+Na-2H]- 235.03766 148.0
[M]+ 214.06244 142.5
[M]- 214.06354 142.5
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

No patent data available for this compound.