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
1
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]+ 476.97780 162.1
[M+Na]+ 498.95974 162.2
[M+NH4]+ 494.00434 161.9
[M+K]+ 514.93368 162.5
[M-H]- 474.96324 160.6
[M+Na-2H]- 496.94519 162.3
[M]+ 475.96997 161.6
[M]- 475.97107 161.6
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.