CID 13433166

Upfoa

Structural Information

Molecular Formula
C8HF13O2
SMILES
C(=C(/C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)\F)(\C(=O)O)/F
InChI
InChI=1S/C8HF13O2/c9-1(3(22)23)2(10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h(H,22,23)/b2-1+
InChIKey
UWPJKAFMMWYWOX-OWOJBTEDSA-N
Compound name
(E)-2,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

375.9769 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.984176 162.5
[M+Na]+ 398.966118 171.2
[M-H]- 374.969624 147.1
[M+NH4]+ 394.010723 156.5
[M+K]+ 414.940058 168.0
[M+H-H2O]+ 358.974160 149.6
[M+HCOO]- 420.975101 162.6
[M+CH3COO]- 434.990751 213.8
[M+Na-2H]- 396.951566 162.2
[M]+ 375.97635142 141.1
[M]- 375.97744858 141.1
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.