CID 85753373

6-(1,1-difluoroethoxy)-1,1,1,2,2,3,3,4,4,5,5-undecafluorohexane

Structural Information

Molecular Formula
C8H5F13O
SMILES
CC(OCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H5F13O/c1-3(9,10)22-2-4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h2H2,1H3
InChIKey
TVUYDMUUUVSPGO-UHFFFAOYSA-N
Compound name
6-(1,1-difluoroethoxy)-1,1,1,2,2,3,3,4,4,5,5-undecafluorohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

364.01328 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.02056 167.8
[M+Na]+ 387.00250 177.1
[M-H]- 363.00600 153.8
[M+NH4]+ 382.04710 179.3
[M+K]+ 402.97644 174.4
[M+H-H2O]+ 347.01054 154.4
[M+HCOO]- 409.01148 168.2
[M+CH3COO]- 423.02713 215.7
[M+Na-2H]- 384.98795 171.3
[M]+ 364.01273 149.1
[M]- 364.01383 149.1
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

No patent data available for this compound.