CID 537021

1-heptafluorobutyryloxydecane

Structural Information

Molecular Formula
C14H21F7O2
SMILES
CCCCCCCCCCOC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H21F7O2/c1-2-3-4-5-6-7-8-9-10-23-11(22)12(15,16)13(17,18)14(19,20)21/h2-10H2,1H3
InChIKey
FBFAFFNIDITULK-UHFFFAOYSA-N
Compound name
decyl 2,2,3,3,4,4,4-heptafluorobutanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

354.14297 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.15025 178.7
[M+Na]+ 377.13219 184.4
[M-H]- 353.13569 169.1
[M+NH4]+ 372.17679 191.5
[M+K]+ 393.10613 181.3
[M+H-H2O]+ 337.14023 167.8
[M+HCOO]- 399.14117 187.4
[M+CH3COO]- 413.15682 214.5
[M+Na-2H]- 375.11764 178.7
[M]+ 354.14242 173.3
[M]- 354.14352 173.3
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.