CID 139392

13140-34-6

Structural Information

Molecular Formula
C7H3F11O3
SMILES
COC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C7H3F11O3/c1-20-2(19)3(8,5(11,12)13)21-7(17,18)4(9,10)6(14,15)16/h1H3
InChIKey
DSKGYKJXZRFRDP-UHFFFAOYSA-N
Compound name
methyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

343.99066 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.99794 186.4
[M+Na]+ 366.97988 186.3
[M+NH4]+ 362.02448 185.1
[M+K]+ 382.95382 184.6
[M-H]- 342.98338 179.5
[M+Na-2H]- 364.96533 183.3
[M]+ 343.99011 184.1
[M]- 343.99121 184.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe