CID 101399030

755-03-3

Structural Information

Molecular Formula
C10H3F15O2
SMILES
C(=C/C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)\C(=O)O
InChI
InChI=1S/C10H3F15O2/c11-4(12,2-1-3(26)27)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h1-2H,(H,26,27)/b2-1+
InChIKey
RRROMQAILYJNAL-OWOJBTEDSA-N
Compound name
(E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodec-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

439.98935 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.996626 155.8
[M+Na]+ 462.978568 162.3
[M-H]- 438.982074 162.4
[M+NH4]+ 458.023173 164.0
[M+K]+ 478.952508 167.9
[M+H-H2O]+ 422.986610 166.9
[M+HCOO]- 484.987551 174.8
[M+CH3COO]- 499.003201 224.6
[M+Na-2H]- 460.964016 155.3
[M]+ 439.98880142 154.0
[M]- 439.98989858 154.0
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.