CID 162396479

Dtxsid501034233

Structural Information

Molecular Formula
C9H3F15O5
SMILES
C(C(=O)O)OC(C(OC(C(OC(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H3F15O5/c10-3(11,4(12,13)14)5(15,16)28-8(21,22)9(23,24)29-7(19,20)6(17,18)27-1-2(25)26/h1H2,(H,25,26)
InChIKey
BZDMESLXYNZRNC-UHFFFAOYSA-N
Compound name
2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

475.9741 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.98138 156.2
[M+Na]+ 498.96332 161.0
[M-H]- 474.96682 164.1
[M+NH4]+ 494.00792 166.0
[M+K]+ 514.93726 166.6
[M+H-H2O]+ 458.97136 147.4
[M+HCOO]- 520.97230 174.9
[M+CH3COO]- 534.98795 228.7
[M+Na-2H]- 496.94877 155.0
[M]+ 475.97355 154.8
[M]- 475.97465 154.8
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.