CID 99647750

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorononadecane

Structural Information

Molecular Formula
C19H19F21
SMILES
CCCCCCCCCC(C(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)(F)F
InChI
InChI=1S/C19H19F21/c1-2-3-4-5-6-7-8-9-10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)16(32,33)17(34,35)18(36,37)19(38,39)40/h2-9H2,1H3
InChIKey
QXMBAJLLUZGNPY-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorononadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

646.1151 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 647.12238 200.1
[M+Na]+ 669.10432 204.0
[M-H]- 645.10782 205.6
[M+NH4]+ 664.14892 209.7
[M+K]+ 685.07826 217.3
[M+H-H2O]+ 629.11236 187.2
[M+HCOO]- 691.11330 217.6
[M+CH3COO]- 705.12895 261.7
[M+Na-2H]- 667.08977 197.7
[M]+ 646.11455 198.4
[M]- 646.11565 198.4
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.