CID 165362583

(e)-4,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-hydroxydec-4-enoic acid

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
1
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]+ 421.01038 172.1
[M+Na]+ 442.99232 164.6
[M-H]- 418.99582 164.3
[M+NH4]+ 438.03692 165.9
[M+K]+ 458.96626 176.1
[M+H-H2O]+ 403.00036 159.3
[M+HCOO]- 465.00130 167.7
[M+CH3COO]- 479.01695 219.5
[M+Na-2H]- 440.97777 169.9
[M]+ 420.00255 152.8
[M]- 420.00365 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.