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]+ 330.98228 154.4
[M+Na]+ 352.96422 163.8
[M-H]- 328.96772 141.1
[M+NH4]+ 348.00882 166.8
[M+K]+ 368.93816 161.9
[M+H-H2O]+ 312.97226 142.9
[M+HCOO]- 374.97320 157.3
[M+CH3COO]- 388.98885 203.1
[M+Na-2H]- 350.94967 158.4
[M]+ 329.97445 138.3
[M]- 329.97555 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.