CID 2782211

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

Structural Information

Molecular Formula
C21H27F17
SMILES
CCCCCCCCCCCCCC(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/C21H27F17/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)21(36,37)38/h2-13H2,1H3
InChIKey
NSIPJGPFVCQTLA-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorohenicosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

602.18414 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 603.19142 201.1
[M+Na]+ 625.17336 205.5
[M-H]- 601.17686 202.5
[M+NH4]+ 620.21796 208.7
[M+K]+ 641.14730 216.9
[M+H-H2O]+ 585.18140 189.5
[M+HCOO]- 647.18234 218.2
[M+CH3COO]- 661.19799 258.3
[M+Na-2H]- 623.15881 196.1
[M]+ 602.18359 199.3
[M]- 602.18469 199.3
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.