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]+ 329.00301 156.1
[M+Na]+ 350.98495 165.5
[M-H]- 326.98845 144.0
[M+NH4]+ 346.02955 169.2
[M+K]+ 366.95889 163.6
[M+H-H2O]+ 310.99299 144.2
[M+HCOO]- 372.99393 159.9
[M+CH3COO]- 387.00958 207.8
[M+Na-2H]- 348.97040 159.7
[M]+ 327.99518 140.9
[M]- 327.99628 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.