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]+ 476.97780 163.2
[M+Na]+ 498.95974 170.2
[M-H]- 474.96324 172.0
[M+NH4]+ 494.00434 173.8
[M+K]+ 514.93368 177.3
[M+H-H2O]+ 458.96778 155.0
[M+HCOO]- 520.96872 177.4
[M+CH3COO]- 534.98437 231.0
[M+Na-2H]- 496.94519 163.5
[M]+ 475.96997 159.5
[M]- 475.97107 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.