CID 13319070

62949-64-8

Structural Information

Molecular Formula
C7H3F11O
SMILES
CO/C(=C(/C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)\F)/F
InChI
InChI=1S/C7H3F11O/c1-19-3(9)2(8)4(10,11)5(12,13)6(14,15)7(16,17)18/h1H3/b3-2-
InChIKey
AXAYXKXNUQHQFZ-IHWYPQMZSA-N
Compound name
(E)-1,2,3,3,4,4,5,5,6,6,6-undecafluoro-1-methoxyhex-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

312.00082 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.008096 152.9
[M+Na]+ 334.990038 161.9
[M-H]- 310.993544 140.5
[M+NH4]+ 330.034643 166.7
[M+K]+ 350.963978 159.5
[M+H-H2O]+ 294.998080 140.7
[M+HCOO]- 356.999021 157.0
[M+CH3COO]- 371.014671 205.5
[M+Na-2H]- 332.975486 154.0
[M]+ 312.00027142 136.4
[M]- 312.00136858 136.4
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.