CID 165362410

2h,8h-2,8-pfudoa

Structural Information

Molecular Formula
C12H3F17O2
SMILES
C(=C(/C(C(C(C(/C=C(/C(C(C(F)(F)F)(F)F)(F)F)\F)(F)F)(F)F)(F)F)(F)F)\F)\C(=O)O
InChI
InChI=1S/C12H3F17O2/c13-3(1-5(30)31)7(17,18)10(23,24)9(21,22)6(15,16)2-4(14)8(19,20)11(25,26)12(27,28)29/h1-2H,(H,30,31)/b3-1-,4-2-
InChIKey
YBHZNIRKOSXPLA-CCAGOZQPSA-N
Compound name
(2Z,8Z)-3,4,4,5,5,6,6,7,7,9,10,10,11,11,12,12,12-heptadecafluorododeca-2,8-dienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

501.98615 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.993426 169.5
[M+Na]+ 524.975368 176.6
[M-H]- 500.978874 178.4
[M+NH4]+ 520.019973 180.4
[M+K]+ 540.949308 184.0
[M+H-H2O]+ 484.983410 161.1
[M+HCOO]- 546.984351 183.6
[M+CH3COO]- 561.000001 234.5
[M+Na-2H]- 522.960816 169.2
[M]+ 501.98560142 165.4
[M]- 501.98669858 165.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.