CID 145865716

Difluoro{[2,2,4,5-tetrafluoro-5-(trifluoromethoxy)-1,3-dioxolan-4-yl]oxy}acetic acid

Structural Information

Molecular Formula
C6HF9O6
SMILES
C(=O)(C(OC1(C(OC(O1)(F)F)(OC(F)(F)F)F)F)(F)F)O
InChI
InChI=1S/C6HF9O6/c7-2(8,1(16)17)18-3(9)4(10,19-5(11,12)13)21-6(14,15)20-3/h(H,16,17)
InChIKey
CJAXBZSIMAURNW-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-[[2,2,4,5-tetrafluoro-5-(trifluoromethoxy)-1,3-dioxolan-4-yl]oxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

339.96295 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.97023 147.3
[M+Na]+ 362.95217 158.9
[M-H]- 338.95567 140.9
[M+NH4]+ 357.99677 164.6
[M+K]+ 378.92611 160.4
[M+H-H2O]+ 322.96021 140.3
[M+HCOO]- 384.96115 155.3
[M+CH3COO]- 398.97680 200.8
[M+Na-2H]- 360.93762 154.9
[M]+ 339.96240 140.4
[M]- 339.96350 140.4
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

patents stripe