CID 20027940

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotridecane

Structural Information

Molecular Formula
C13H15F13
SMILES
CCCCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H15F13/c1-2-3-4-5-6-7-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h2-7H2,1H3
InChIKey
OOYUDVCBUIKSAP-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotridecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

418.09662 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.10390 182.0
[M+Na]+ 441.08584 182.0
[M+NH4]+ 436.13044 181.1
[M+K]+ 457.05978 180.4
[M-H]- 417.08934 177.5
[M+Na-2H]- 439.07129 180.1
[M]+ 418.09607 180.6
[M]- 418.09717 180.6
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