CID 114481

13252-13-6

Structural Information

Molecular Formula
C6HF11O3
SMILES
C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)O
InChI
InChI=1S/C6HF11O3/c7-2(1(18)19,4(10,11)12)20-6(16,17)3(8,9)5(13,14)15/h(H,18,19)
InChIKey
CSEBNABAWMZWIF-UHFFFAOYSA-N
Compound name
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

70
References

1066
Patents

329.975 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.98228 184.7
[M+Na]+ 352.96422 184.6
[M+NH4]+ 348.00882 183.4
[M+K]+ 368.93816 183.0
[M-H]- 328.96772 177.7
[M+Na-2H]- 350.94967 181.6
[M]+ 329.97445 182.4
[M]- 329.97555 182.4
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