CID 165362583

Beta-oh 7:3 ftuca

Structural Information

Molecular Formula
C10H5F13O3
SMILES
C(C(/C(=C(/C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)\F)/F)O)C(=O)O
InChI
InChI=1S/C10H5F13O3/c11-4(2(24)1-3(25)26)5(12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h2,24H,1H2,(H,25,26)/b5-4+
InChIKey
UMEVKGUSPWJNIK-SNAWJCMRSA-N
Compound name
(E)-4,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-hydroxydec-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

420.0031 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.010376 172.1
[M+Na]+ 442.992318 164.6
[M-H]- 418.995824 164.3
[M+NH4]+ 438.036923 165.9
[M+K]+ 458.966258 176.1
[M+H-H2O]+ 403.000360 159.3
[M+HCOO]- 465.001301 167.7
[M+CH3COO]- 479.016951 219.5
[M+Na-2H]- 440.977766 169.9
[M]+ 420.00255142 152.8
[M]- 420.00364858 152.8
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.