CID 2782210

1-(perfluoro-n-hexyl)dodecane

Structural Information

Molecular Formula
C18H25F13
SMILES
CCCCCCCCCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C18H25F13/c1-2-3-4-5-6-7-8-9-10-11-12-13(19,20)14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)31/h2-12H2,1H3
InChIKey
SSVQUYHNTDJHGP-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

20
Patents

488.17487 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.18215 185.2
[M+Na]+ 511.16409 191.1
[M-H]- 487.16759 183.4
[M+NH4]+ 506.20869 190.4
[M+K]+ 527.13803 198.1
[M+H-H2O]+ 471.17213 194.8
[M+HCOO]- 533.17307 203.2
[M+CH3COO]- 547.18872 240.9
[M+Na-2H]- 509.14954 180.0
[M]+ 488.17432 184.0
[M]- 488.17542 184.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe