CID 162396615

Dtxsid001034214

Structural Information

Molecular Formula
C9H4F14O5
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
InChI
InChI=1S/C9H4F14O5/c10-3(4(11,12)26-1-2(24)25)27-8(20,21)9(22,23)28-7(18,19)5(13,14)6(15,16)17/h3H,1H2,(H,24,25)
InChIKey
XLWPSCROLZWCFY-UHFFFAOYSA-N
Compound name
2-[1,1,2-trifluoro-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

457.98352 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.99080 156.8
[M+Na]+ 480.97274 162.2
[M-H]- 456.97624 163.9
[M+NH4]+ 476.01734 166.7
[M+K]+ 496.94668 166.7
[M+H-H2O]+ 440.98078 149.8
[M+HCOO]- 502.98172 172.9
[M+CH3COO]- 516.99737 226.1
[M+Na-2H]- 478.95819 155.3
[M]+ 457.98297 154.5
[M]- 457.98407 154.5
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.