CID 139597425

Dpflca_5_n, n=1

Structural Information

Molecular Formula
C9HF15O2
SMILES
C(=C(/C(F)(F)F)\F)(\C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)/F
InChI
InChI=1S/C9HF15O2/c10-1(2(11)6(16,17)18)4(12,13)7(19,20)9(23,24)8(21,22)5(14,15)3(25)26/h(H,25,26)/b2-1+
InChIKey
VAZOKPJSDFICQA-OWOJBTEDSA-N
Compound name
(E)-2,2,3,3,4,4,5,5,6,6,7,8,9,9,9-pentadecafluoronon-7-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

425.9737 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.980976 173.1
[M+Na]+ 448.962918 163.0
[M-H]- 424.966424 162.7
[M+NH4]+ 444.007523 165.0
[M+K]+ 464.936858 178.4
[M+H-H2O]+ 408.970960 159.1
[M+HCOO]- 470.971901 169.8
[M+CH3COO]- 484.987551 222.7
[M+Na-2H]- 446.948366 172.4
[M]+ 425.97315142 151.8
[M]- 425.97424858 151.8
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.