CID 162396569

Dtxsid901034211

Structural Information

Molecular Formula
C7H4F10O4
SMILES
C(C(=O)O)OC(C(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F
InChI
InChI=1S/C7H4F10O4/c8-3(4(9,10)20-1-2(18)19)21-7(16,17)5(11,12)6(13,14)15/h3H,1H2,(H,18,19)
InChIKey
PMLRCZDTMRVYDU-UHFFFAOYSA-N
Compound name
2-[1,1,2-trifluoro-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

341.995 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.00228 157.7
[M+Na]+ 364.98422 165.9
[M-H]- 340.98772 144.8
[M+NH4]+ 360.02882 150.0
[M+K]+ 380.95816 164.6
[M+H-H2O]+ 324.99226 146.2
[M+HCOO]- 386.99320 162.1
[M+CH3COO]- 401.00885 206.2
[M+Na-2H]- 362.96967 159.8
[M]+ 341.99445 145.1
[M]- 341.99555 145.1
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.