CID 162396578

Dtxsid401034230

Structural Information

Molecular Formula
C7H3F11O4
SMILES
C(C(=O)O)OC(C(OC(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H3F11O4/c8-3(9,4(10,11)12)5(13,14)22-7(17,18)6(15,16)21-1-2(19)20/h1H2,(H,19,20)
InChIKey
QLRRNFFYOHDQOQ-UHFFFAOYSA-N
Compound name
2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

359.98557 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.99285 161.5
[M+Na]+ 382.97479 170.1
[M-H]- 358.97829 147.8
[M+NH4]+ 378.01939 148.9
[M+K]+ 398.94873 168.5
[M+H-H2O]+ 342.98283 149.5
[M+HCOO]- 404.98377 161.4
[M+CH3COO]- 418.99942 209.1
[M+Na-2H]- 380.96024 165.3
[M]+ 359.98502 147.2
[M]- 359.98612 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

No patent data available for this compound.