CID 9386

Perfluorodecalin

Structural Information

Molecular Formula
C10F18
SMILES
C12(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(C(C(C(C2(F)F)(F)F)(F)F)(F)F)F)F
InChI
InChI=1S/C10F18/c11-1-2(12,5(17,18)9(25,26)7(21,22)3(1,13)14)6(19,20)10(27,28)8(23,24)4(1,15)16
InChIKey
UWEYRJFJVCLAGH-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

768
References

17973
Patents

461.97125 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.978526 153.7
[M+Na]+ 484.960468 174.3
[M-H]- 460.963974 144.7
[M+NH4]+ 480.005073 179.3
[M+K]+ 500.934408 169.5
[M+H-H2O]+ 444.968510 143.2
[M+HCOO]- 506.969451 154.1
[M+CH3COO]- 520.985101 232.8
[M+Na-2H]- 482.945916 157.8
[M]+ 461.97070142 135.8
[M]- 461.97179858 135.8
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