CID 56776410

1-(perfluorodecyl)octane

Structural Information

Molecular Formula
C18H17F21
SMILES
CCCCCCCCC(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/C18H17F21/c1-2-3-4-5-6-7-8-9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)17(35,36)18(37,38)39/h2-8H2,1H3
InChIKey
QHWFBGRTHMNLGS-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-henicosafluorooctadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

632.0995 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 633.10678 153.1
[M+Na]+ 655.08872 153.1
[M+NH4]+ 650.13332 153.1
[M+K]+ 671.06266 153.1
[M-H]- 631.09222 153.1
[M+Na-2H]- 653.07417 161.6
[M]+ 632.09895 153.1
[M]- 632.10005 153.1
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