CID 139597986

Mdpflca n=3

Structural Information

Molecular Formula
C8HF11O2
SMILES
C(=C(/C(C(C(C(=O)O)(F)F)(F)F)(F)F)\F)(\C(=C(F)F)F)/F
InChI
InChI=1S/C8HF11O2/c9-1(2(10)4(12)13)3(11)6(14,15)8(18,19)7(16,17)5(20)21/h(H,20,21)/b3-1+
InChIKey
YFADGKQDVFHQHS-HNQUOIGGSA-N
Compound name
(5E)-2,2,3,3,4,4,5,6,7,8,8-undecafluoroocta-5,7-dienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

337.9801 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.98738 154.2
[M+Na]+ 360.96932 162.0
[M-H]- 336.97282 140.1
[M+NH4]+ 356.01392 165.9
[M+K]+ 376.94326 158.8
[M+H-H2O]+ 320.97736 142.1
[M+HCOO]- 382.97830 156.1
[M+CH3COO]- 396.99395 207.6
[M+Na-2H]- 358.95477 150.5
[M]+ 337.97955 135.3
[M]- 337.98065 135.3
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.