CID 162396616

2-[2-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-2-fluoroacetic acid

Structural Information

Molecular Formula
C6H2F10O5
SMILES
C(C(=O)O)(OC(C(OC(OC(F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C6H2F10O5/c7-1(2(17)18)19-3(8,9)4(10,11)20-6(15,16)21-5(12,13)14/h1H,(H,17,18)
InChIKey
XSJOFKXAKBSCEK-UHFFFAOYSA-N
Compound name
2-[2-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-2-fluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

343.97424 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.98152 155.3
[M+Na]+ 366.96346 163.7
[M-H]- 342.96696 142.5
[M+NH4]+ 362.00806 148.3
[M+K]+ 382.93740 163.2
[M+H-H2O]+ 326.97150 143.8
[M+HCOO]- 388.97244 157.8
[M+CH3COO]- 402.98809 205.4
[M+Na-2H]- 364.94891 158.3
[M]+ 343.97369 143.8
[M]- 343.97479 143.8
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.