CID 363261

2,3,4,6,7-pentamethoxy-9h-fluoren-9-one

Structural Information

Molecular Formula
C18H18O6
SMILES
COC1=C(C=C2C(=C1)C3=C(C(=C(C=C3C2=O)OC)OC)OC)OC
InChI
InChI=1S/C18H18O6/c1-20-12-6-9-10(7-13(12)21-2)16(19)11-8-14(22-3)17(23-4)18(24-5)15(9)11/h6-8H,1-5H3
InChIKey
RAOUCZHCWRKLKL-UHFFFAOYSA-N
Compound name
2,3,4,6,7-pentamethoxyfluoren-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.11035 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.11763 172.1
[M+Na]+ 353.09957 183.8
[M-H]- 329.10307 179.1
[M+NH4]+ 348.14417 191.1
[M+K]+ 369.07351 182.0
[M+H-H2O]+ 313.10761 166.0
[M+HCOO]- 375.10855 195.1
[M+CH3COO]- 389.12420 213.6
[M+Na-2H]- 351.08502 175.0
[M]+ 330.10980 184.1
[M]- 330.11090 184.1
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.