CID 162396481

Dtxsid101034243

Structural Information

Molecular Formula
C8HF15O3
SMILES
C(=O)(C(C(C(C(C(OC(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C8HF15O3/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)7(20,21)26-8(22,23)6(17,18)19/h(H,24,25)
InChIKey
CDSPDBQVWZDFFQ-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6-decafluoro-6-(1,1,2,2,2-pentafluoroethoxy)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

429.96863 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.97591 150.3
[M+Na]+ 452.95785 156.1
[M-H]- 428.96135 157.3
[M+NH4]+ 448.00245 158.9
[M+K]+ 468.93179 161.4
[M+H-H2O]+ 412.96589 162.3
[M+HCOO]- 474.96683 169.3
[M+CH3COO]- 488.98248 222.6
[M+Na-2H]- 450.94330 150.1
[M]+ 429.96808 148.8
[M]- 429.96918 148.8
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.