CID 13595122

1,1,3,3,4,4,5,5,6,6,6-undecafluoro-1-methoxyhexan-2-one

Structural Information

Molecular Formula
C7H3F11O2
SMILES
COC(C(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H3F11O2/c1-20-4(10,11)2(19)3(8,9)5(12,13)6(14,15)7(16,17)18/h1H3
InChIKey
YWOBOCYPEYNWHE-UHFFFAOYSA-N
Compound name
1,1,3,3,4,4,5,5,6,6,6-undecafluoro-1-methoxyhexan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

327.99573 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.003006 156.1
[M+Na]+ 350.984948 165.5
[M-H]- 326.988454 144.0
[M+NH4]+ 346.029553 169.2
[M+K]+ 366.958888 163.6
[M+H-H2O]+ 310.992990 144.2
[M+HCOO]- 372.993931 159.9
[M+CH3COO]- 387.009581 207.8
[M+Na-2H]- 348.970396 159.7
[M]+ 327.99518142 140.9
[M]- 327.99627858 140.9
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.