CID 139596126

Dpflca_5_n, n=2

Structural Information

Molecular Formula
C10HF17O2
SMILES
C(=C(/C(C(F)(F)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/C10HF17O2/c11-1(2(12)5(15,16)10(25,26)27)4(13,14)7(19,20)9(23,24)8(21,22)6(17,18)3(28)29/h(H,28,29)/b2-1+
InChIKey
MSJUPIYQOIUUBT-OWOJBTEDSA-N
Compound name
(E)-2,2,3,3,4,4,5,5,6,6,7,8,9,9,10,10,10-heptadecafluorodec-7-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

475.97052 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.977796 163.2
[M+Na]+ 498.959738 170.2
[M-H]- 474.963244 172.0
[M+NH4]+ 494.004343 173.8
[M+K]+ 514.933678 177.3
[M+H-H2O]+ 458.967780 155.0
[M+HCOO]- 520.968721 177.4
[M+CH3COO]- 534.984371 231.0
[M+Na-2H]- 496.945186 163.5
[M]+ 475.96997142 159.5
[M]- 475.97106858 159.5
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.