CID 6426350

Octafluoroanthraquinone

Structural Information

Molecular Formula
C14F8O2
SMILES
C12=C(C(=C(C(=C1F)F)F)F)C(=O)C3=C(C2=O)C(=C(C(=C3F)F)F)F
InChI
InChI=1S/C14F8O2/c15-5-1-2(6(16)10(20)9(5)19)14(24)4-3(13(1)23)7(17)11(21)12(22)8(4)18
InChIKey
JHJWVVOLGHMBPQ-UHFFFAOYSA-N
Compound name
1,2,3,4,5,6,7,8-octafluoroanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

351.97705 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.98433 167.5
[M+Na]+ 374.96627 185.1
[M-H]- 350.96977 165.3
[M+NH4]+ 370.01087 184.0
[M+K]+ 390.94021 177.3
[M+H-H2O]+ 334.97431 154.8
[M+HCOO]- 396.97525 180.0
[M+CH3COO]- 410.99090 220.2
[M+Na-2H]- 372.95172 165.4
[M]+ 351.97650 161.5
[M]- 351.97760 161.5
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

patents stripe