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]+ 365.020556 167.8
[M+Na]+ 387.002498 177.1
[M-H]- 363.006004 153.8
[M+NH4]+ 382.047103 179.3
[M+K]+ 402.976438 174.4
[M+H-H2O]+ 347.010540 154.4
[M+HCOO]- 409.011481 168.2
[M+CH3COO]- 423.027131 215.7
[M+Na-2H]- 384.987946 171.3
[M]+ 364.01273142 149.1
[M]- 364.01382858 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.