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]+ 392.97908 165.3
[M+Na]+ 414.96102 173.8
[M-H]- 390.96452 155.5
[M+NH4]+ 410.00562 158.3
[M+K]+ 430.93496 171.2
[M+H-H2O]+ 374.96906 152.3
[M+HCOO]- 436.97000 163.8
[M+CH3COO]- 450.98565 215.6
[M+Na-2H]- 412.94647 165.3
[M]+ 391.97125 145.3
[M]- 391.97235 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.