CID 3527267

102822-05-9

Structural Information

Molecular Formula
C14H4F4O4
SMILES
C1=CC(=C2C(=C1O)C(=O)C3=C(C2=O)C(=C(C(=C3F)F)F)F)O
InChI
InChI=1S/C14H4F4O4/c15-9-7-8(10(16)12(18)11(9)17)14(22)6-4(20)2-1-3(19)5(6)13(7)21/h1-2,19-20H
InChIKey
PKJLMPNJHMHOIE-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrafluoro-5,8-dihydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

312.00458 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.01186 160.1
[M+Na]+ 334.99380 174.7
[M-H]- 310.99730 159.9
[M+NH4]+ 330.03840 176.8
[M+K]+ 350.96774 168.5
[M+H-H2O]+ 295.00184 151.1
[M+HCOO]- 357.00278 174.6
[M+CH3COO]- 371.01843 206.3
[M+Na-2H]- 332.97925 161.5
[M]+ 312.00403 157.8
[M]- 312.00513 157.8
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

patents stripe