CID 138394356

Dtxsid00892361

Structural Information

Molecular Formula
C7HF13O3
SMILES
C(=O)(C(C(F)(F)F)(C(F)(F)F)OC(C(C(F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C7HF13O3/c8-3(9,6(16,17)18)7(19,20)23-2(1(21)22,4(10,11)12)5(13,14)15/h(H,21,22)
InChIKey
FJNUIKKJPFFSDP-UHFFFAOYSA-N
Compound name
3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-(trifluoromethyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

379.9718 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.97908 165.2
[M+Na]+ 402.96102 174.5
[M-H]- 378.96452 150.2
[M+NH4]+ 398.00562 151.5
[M+K]+ 418.93496 172.3
[M+H-H2O]+ 362.96906 152.5
[M+HCOO]- 424.97000 163.7
[M+CH3COO]- 438.98565 212.5
[M+Na-2H]- 400.94647 168.7
[M]+ 379.97125 145.7
[M]- 379.97235 145.7
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