CID 71337562

113659-13-5

Structural Information

Molecular Formula
C15H19F13
SMILES
CCCCCCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C15H19F13/c1-2-3-4-5-6-7-8-9-10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h2-9H2,1H3
InChIKey
QWZCZTUZNTVRGH-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

446.12793 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.13521 196.4
[M+Na]+ 469.11715 203.2
[M-H]- 445.12065 173.0
[M+NH4]+ 464.16175 179.2
[M+K]+ 485.09109 198.5
[M+H-H2O]+ 429.12519 181.9
[M+HCOO]- 491.12613 193.0
[M+CH3COO]- 505.14178 232.9
[M+Na-2H]- 467.10260 196.2
[M]+ 446.12738 173.1
[M]- 446.12848 173.1
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