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]+ 292.98548 145.8
[M+Na]+ 314.96742 154.2
[M-H]- 290.97092 134.0
[M+NH4]+ 310.01202 159.7
[M+K]+ 330.94136 152.3
[M+H-H2O]+ 274.97546 135.1
[M+HCOO]- 336.97640 152.1
[M+CH3COO]- 350.99205 197.1
[M+Na-2H]- 312.95287 146.4
[M]+ 291.97765 132.2
[M]- 291.97875 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.