CID 98452307

1287702-47-9

Structural Information

Molecular Formula
C18H19F19
SMILES
CCCCCCCCCC(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C18H19F19/c1-2-3-4-5-6-7-8-9-10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)17(33,34)18(35,36)37/h2-9H2,1H3
InChIKey
IBMIKGQEDHLOMX-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluorooctadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

596.11835 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.12563 193.3
[M+Na]+ 619.10757 197.8
[M-H]- 595.11107 197.5
[M+NH4]+ 614.15217 202.1
[M+K]+ 635.08151 209.6
[M+H-H2O]+ 579.11561 181.2
[M+HCOO]- 641.11655 211.4
[M+CH3COO]- 655.13220 255.5
[M+Na-2H]- 617.09302 190.5
[M]+ 596.11780 191.8
[M]- 596.11890 191.8
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

No patent data available for this compound.