CID 2776345

Perfluoroperhydrofluorene

Structural Information

Molecular Formula
C13F22
SMILES
C12(C3(C(C(C1(C(C(C(C2(F)F)(F)F)(F)F)(F)F)F)(F)F)(C(C(C(C3(F)F)(F)F)(F)F)(F)F)F)F)F
InChI
InChI=1S/C13F22/c14-1-2(15)4(17,9(26,27)13(34,35)11(30,31)7(2,22)23)5(18,19)3(1,16)8(24,25)12(32,33)10(28,29)6(1,20)21
InChIKey
PDFYOLXVKFUEPM-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8,8a,9,9,9a-docosafluorofluorene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

292
Patents

573.96484 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 574.97212 163.0
[M+Na]+ 596.95406 186.0
[M-H]- 572.95756 154.6
[M+NH4]+ 591.99866 188.7
[M+K]+ 612.92800 179.4
[M+H-H2O]+ 556.96210 152.4
[M+HCOO]- 618.96304 160.6
[M+CH3COO]- 632.97869 247.4
[M+Na-2H]- 594.93951 166.8
[M]+ 573.96429 146.4
[M]- 573.96539 146.4
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