CID 112235

Tetrafluoro-3-(trifluoro-1-(trifluoromethyl)-2-((trifluorovinyl)oxy)ethoxy) propionic acid

Structural Information

Molecular Formula
C8HF13O4
SMILES
C(=C(F)F)(OC(C(C(F)(F)F)(OC(C(C(=O)O)(F)F)(F)F)F)(F)F)F
InChI
InChI=1S/C8HF13O4/c9-1(10)2(11)24-8(20,21)5(14,6(15,16)17)25-7(18,19)4(12,13)3(22)23/h(H,22,23)
InChIKey
OHNPEJVXZTXULX-UHFFFAOYSA-N
Compound name
2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

89
Patents

407.96674 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.97402 167.9
[M+Na]+ 430.95596 157.9
[M-H]- 406.95946 157.4
[M+NH4]+ 426.00056 160.3
[M+K]+ 446.92990 174.2
[M+H-H2O]+ 390.96400 154.7
[M+HCOO]- 452.96494 165.1
[M+CH3COO]- 466.98059 217.5
[M+Na-2H]- 428.94141 168.2
[M]+ 407.96619 147.2
[M]- 407.96729 147.2
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