CID 165362411

Beta-keto 7:3 ftuca

Structural Information

Molecular Formula
C10H3F13O3
SMILES
C(C(=O)/C(=C(/C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)\F)/F)C(=O)O
InChI
InChI=1S/C10H3F13O3/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/h1H2,(H,25,26)/b5-4+
InChIKey
LHHAFMRLUSFWCV-SNAWJCMRSA-N
Compound name
(E)-4,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-oxodec-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

417.98746 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.994736 157.0
[M+Na]+ 440.976678 165.5
[M-H]- 416.980184 164.7
[M+NH4]+ 436.021283 167.7
[M+K]+ 456.950618 169.0
[M+H-H2O]+ 400.984720 157.7
[M+HCOO]- 462.985661 169.3
[M+CH3COO]- 477.001311 220.8
[M+Na-2H]- 438.962126 168.9
[M]+ 417.98691142 153.3
[M]- 417.98800858 153.3
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.