CID 114481

2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoic acid

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
5
Annotation Hits

70
References

1081
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 154.3
[M+Na]+ 352.96422 163.6
[M-H]- 328.96772 141.0
[M+NH4]+ 348.00882 166.6
[M+K]+ 368.93816 161.7
[M+H-H2O]+ 312.97226 142.8
[M+HCOO]- 374.97320 157.2
[M+CH3COO]- 388.98885 203.8
[M+Na-2H]- 350.94967 158.2
[M]+ 329.97445 138.3
[M]- 329.97555 138.3
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