CID 2769357

Methyl perfluoro-3,6-dioxaheptanoate

Structural Information

Molecular Formula
C6H3F9O4
SMILES
COC(=O)C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H3F9O4/c1-17-2(16)3(7,8)18-4(9,10)5(11,12)19-6(13,14)15/h1H3
InChIKey
NDRNDAZKCQFBST-UHFFFAOYSA-N
Compound name
methyl 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

309.98877 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.99605 151.4
[M+Na]+ 332.97799 160.6
[M-H]- 308.98149 141.2
[M+NH4]+ 328.02259 165.4
[M+K]+ 348.95193 160.2
[M+H-H2O]+ 292.98603 140.5
[M+HCOO]- 354.98697 159.5
[M+CH3COO]- 369.00262 201.5
[M+Na-2H]- 330.96344 156.0
[M]+ 309.98822 142.3
[M]- 309.98932 142.3
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

patents stripe