CID 131713263

2,2,3,3-tetrafluoro-3-{[1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)propan-2-yl]oxy}propanoic acid

Structural Information

Molecular Formula
C8H2F14O4
SMILES
C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(=O)O)(F)F)(F)F)F)(F)F)F
InChI
InChI=1S/C8H2F14O4/c9-1(4(12,13)14)25-8(21,22)5(15,6(16,17)18)26-7(19,20)3(10,11)2(23)24/h1H,(H,23,24)
InChIKey
VCWDSNIRAAZWFY-UHFFFAOYSA-N
Compound name
2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)propan-2-yl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

427.97296 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.98024 151.9
[M+Na]+ 450.96218 158.1
[M-H]- 426.96568 158.9
[M+NH4]+ 446.00678 161.3
[M+K]+ 466.93612 162.1
[M+H-H2O]+ 410.97022 160.2
[M+HCOO]- 472.97116 168.5
[M+CH3COO]- 486.98681 221.1
[M+Na-2H]- 448.94763 151.2
[M]+ 427.97241 149.6
[M]- 427.97351 149.6
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