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
2
Annotation Hits

0
References

40
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 196.6
[M+Na]+ 655.08872 200.7
[M-H]- 631.09222 202.4
[M+NH4]+ 650.13332 206.2
[M+K]+ 671.06266 213.7
[M+H-H2O]+ 615.09676 183.8
[M+HCOO]- 677.09770 214.5
[M+CH3COO]- 691.11335 259.5
[M+Na-2H]- 653.07417 194.7
[M]+ 632.09895 195.0
[M]- 632.10005 195.0
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