CID 139594377

(e)-perfluoro-2-hept-5-eneoxyacetic acid

Structural Information

Molecular Formula
C9HF15O3
SMILES
C(=C(/C(F)(F)F)\F)(\C(C(C(C(OC(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)/F
InChI
InChI=1S/C9HF15O3/c10-1(2(11)5(14,15)16)4(12,13)7(19,20)8(21,22)9(23,24)27-6(17,18)3(25)26/h(H,25,26)/b2-1+
InChIKey
BNGVLTVGFRZQEA-OWOJBTEDSA-N
Compound name
2,2-difluoro-2-[(E)-1,1,2,2,3,3,4,4,5,6,7,7,7-tridecafluorohept-5-enoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.96863 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.97591 169.2
[M+Na]+ 464.95785 169.1
[M+NH4]+ 460.00245 168.6
[M+K]+ 480.93179 168.9
[M-H]- 440.96135 166.3
[M+Na-2H]- 462.94330 168.5
[M]+ 441.96808 168.3
[M]- 441.96918 168.3
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.