CID 2778357

35910-59-9

Structural Information

Molecular Formula
C10H6F12O7
SMILES
COC(=O)C(OC(C(OC(C(OC(C(=O)OC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H6F12O7/c1-25-3(23)5(11,12)27-7(15,16)9(19,20)29-10(21,22)8(17,18)28-6(13,14)4(24)26-2/h1-2H3
InChIKey
WLUWVVHUMQEZQT-UHFFFAOYSA-N
Compound name
methyl 2-[2-[2-(1,1-difluoro-2-methoxy-2-oxoethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

465.9922 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.99948 162.1
[M+Na]+ 488.98142 168.2
[M-H]- 464.98492 171.6
[M+NH4]+ 484.02602 175.9
[M+K]+ 504.95536 171.8
[M+H-H2O]+ 448.98946 156.3
[M+HCOO]- 510.99040 180.6
[M+CH3COO]- 525.00605 227.8
[M+Na-2H]- 486.96687 160.4
[M]+ 465.99165 163.0
[M]- 465.99275 163.0
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