CID 101567675

5:3 ftuca

Structural Information

Molecular Formula
C8H3F11O2
SMILES
C(=C/C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)\C(=O)O
InChI
InChI=1S/C8H3F11O2/c9-4(10,2-1-3(20)21)5(11,12)6(13,14)7(15,16)8(17,18)19/h1-2H,(H,20,21)/b2-1+
InChIKey
UGMLUHQLUFIGNF-OWOJBTEDSA-N
Compound name
(E)-4,4,5,5,6,6,7,7,8,8,8-undecafluorooct-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.99573 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.00301 159.2
[M+Na]+ 362.98495 168.1
[M-H]- 338.98845 145.6
[M+NH4]+ 358.02955 171.1
[M+K]+ 378.95889 164.6
[M+H-H2O]+ 322.99299 147.5
[M+HCOO]- 384.99393 161.4
[M+CH3COO]- 399.00958 206.5
[M+Na-2H]- 360.97040 161.9
[M]+ 339.99518 141.8
[M]- 339.99628 141.8
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.