CID 138395162

(e)-perfluoro-2-but-2-eneoxyacetic acid

Structural Information

Molecular Formula
C6HF9O3
SMILES
C(=C(/C(F)(F)F)\F)(\C(OC(C(=O)O)(F)F)(F)F)/F
InChI
InChI=1S/C6HF9O3/c7-1(4(9,10)11)2(8)5(12,13)18-6(14,15)3(16)17/h(H,16,17)/b2-1+
InChIKey
AMPGCEICHOUYGY-OWOJBTEDSA-N
Compound name
2,2-difluoro-2-[(E)-1,1,2,3,4,4,4-heptafluorobut-2-enoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

291.9782 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.985476 145.8
[M+Na]+ 314.967418 154.2
[M-H]- 290.970924 134.0
[M+NH4]+ 310.012023 159.7
[M+K]+ 330.941358 152.3
[M+H-H2O]+ 274.975460 135.1
[M+HCOO]- 336.976401 152.1
[M+CH3COO]- 350.992051 197.1
[M+Na-2H]- 312.952866 146.4
[M]+ 291.97765142 132.2
[M]- 291.97874858 132.2
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.