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

No literature data available for this compound.

Patent stripe

patents stripe