CID 21678910

1-(perfluoroethyl)decane

Structural Information

Molecular Formula
C12H21F5
SMILES
CCCCCCCCCCC(C(F)(F)F)(F)F
InChI
InChI=1S/C12H21F5/c1-2-3-4-5-6-7-8-9-10-11(13,14)12(15,16)17/h2-10H2,1H3
InChIKey
UTWRYXARSNGLBY-UHFFFAOYSA-N
Compound name
1,1,1,2,2-pentafluorododecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

260.15634 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.16362 159.8
[M+Na]+ 283.14556 165.7
[M-H]- 259.14906 152.8
[M+NH4]+ 278.19016 176.7
[M+K]+ 299.11950 162.7
[M+H-H2O]+ 243.15360 150.7
[M+HCOO]- 305.15454 173.1
[M+CH3COO]- 319.17019 199.7
[M+Na-2H]- 281.13101 161.9
[M]+ 260.15579 155.8
[M]- 260.15689 155.8
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.