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]+ 215.070266 142.7
[M+Na]+ 237.052208 153.1
[M-H]- 213.055714 146.5
[M+NH4]+ 232.096813 164.6
[M+K]+ 253.026148 148.3
[M+H-H2O]+ 197.060250 138.1
[M+HCOO]- 259.061191 162.7
[M+CH3COO]- 273.076841 156.2
[M+Na-2H]- 235.037656 148.0
[M]+ 214.06244142 142.5
[M]- 214.06353858 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.