CID 162396509

Dtxsid301034213

Structural Information

Molecular Formula
C8H6F10O4
SMILES
C(COC(C(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)C(=O)O
InChI
InChI=1S/C8H6F10O4/c9-4(5(10,11)21-2-1-3(19)20)22-8(17,18)6(12,13)7(14,15)16/h4H,1-2H2,(H,19,20)
InChIKey
HSQKIMAYNZYBQK-UHFFFAOYSA-N
Compound name
3-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

356.01065 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.01793 162.5
[M+Na]+ 378.99987 170.2
[M-H]- 355.00337 149.4
[M+NH4]+ 374.04447 153.9
[M+K]+ 394.97381 168.7
[M+H-H2O]+ 339.00791 150.7
[M+HCOO]- 401.00885 163.3
[M+CH3COO]- 415.02450 209.1
[M+Na-2H]- 376.98532 164.0
[M]+ 356.01010 150.2
[M]- 356.01120 150.2
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.