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]+ 426.98098 173.1
[M+Na]+ 448.96292 163.0
[M-H]- 424.96642 162.7
[M+NH4]+ 444.00752 165.0
[M+K]+ 464.93686 178.4
[M+H-H2O]+ 408.97096 159.1
[M+HCOO]- 470.97190 169.8
[M+CH3COO]- 484.98755 222.7
[M+Na-2H]- 446.94837 172.4
[M]+ 425.97315 151.8
[M]- 425.97425 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.