CID 162679371

Moe-pfcas(n2)

Structural Information

Molecular Formula
C6HF11O3
SMILES
C(=O)(C(C(F)(F)F)(C(F)(F)F)OC(C(F)(F)F)(F)F)O
InChI
InChI=1S/C6HF11O3/c7-3(8,9)2(1(18)19,4(10,11)12)20-6(16,17)5(13,14)15/h(H,18,19)
InChIKey
BJLJQSMDVAHBIE-UHFFFAOYSA-N
Compound name
3,3,3-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)-2-(trifluoromethyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.975 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.982276 154.4
[M+Na]+ 352.964218 163.8
[M-H]- 328.967724 141.1
[M+NH4]+ 348.008823 166.8
[M+K]+ 368.938158 161.9
[M+H-H2O]+ 312.972260 142.9
[M+HCOO]- 374.973201 157.3
[M+CH3COO]- 388.988851 203.1
[M+Na-2H]- 350.949666 158.4
[M]+ 329.97445142 138.3
[M]- 329.97554858 138.3
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.