CID 98452308

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoroheptadecane

Structural Information

Molecular Formula
C17H19F17
SMILES
CCCCCCCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C17H19F17/c1-2-3-4-5-6-7-8-9-10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)34/h2-9H2,1H3
InChIKey
SHQQMHMRNKRZAY-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoroheptadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

546.1215 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.12878 186.6
[M+Na]+ 569.11072 191.7
[M-H]- 545.11422 189.2
[M+NH4]+ 564.15532 194.4
[M+K]+ 585.08466 201.7
[M+H-H2O]+ 529.11876 175.5
[M+HCOO]- 591.11970 205.1
[M+CH3COO]- 605.13535 248.6
[M+Na-2H]- 567.09617 183.4
[M]+ 546.12095 185.2
[M]- 546.12205 185.2
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