CID 139598024

(e)-perfluoro-2-hex-4-eneoxyacetic acid

Structural Information

Molecular Formula
C8HF13O3
SMILES
C(=C(/C(F)(F)F)\F)(\C(C(C(OC(C(=O)O)(F)F)(F)F)(F)F)(F)F)/F
InChI
InChI=1S/C8HF13O3/c9-1(2(10)5(13,14)15)4(11,12)7(18,19)8(20,21)24-6(16,17)3(22)23/h(H,22,23)/b2-1+
InChIKey
YKFPTZQQQWHKIG-OWOJBTEDSA-N
Compound name
2,2-difluoro-2-[(E)-1,1,2,2,3,3,4,5,6,6,6-undecafluorohex-4-enoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

391.9718 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.979076 165.3
[M+Na]+ 414.961018 173.8
[M-H]- 390.964524 155.5
[M+NH4]+ 410.005623 158.3
[M+K]+ 430.934958 171.2
[M+H-H2O]+ 374.969060 152.3
[M+HCOO]- 436.970001 163.8
[M+CH3COO]- 450.985651 215.6
[M+Na-2H]- 412.946466 165.3
[M]+ 391.97125142 145.3
[M]- 391.97234858 145.3
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.