CID 12808577

Methyl 3,3,4,4,5,5,6,6,6-nonafluoro-2-oxohexanoate

Structural Information

Molecular Formula
C7H3F9O3
SMILES
COC(=O)C(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H3F9O3/c1-19-3(18)2(17)4(8,9)5(10,11)6(12,13)7(14,15)16/h1H3
InChIKey
ALAFITPQQICBPX-UHFFFAOYSA-N
Compound name
methyl 3,3,4,4,5,5,6,6,6-nonafluoro-2-oxohexanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

305.99384 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.00112 150.1
[M+Na]+ 328.98306 159.2
[M-H]- 304.98656 140.0
[M+NH4]+ 324.02766 164.3
[M+K]+ 344.95700 158.0
[M+H-H2O]+ 288.99110 139.6
[M+HCOO]- 350.99204 157.0
[M+CH3COO]- 365.00769 202.3
[M+Na-2H]- 326.96851 153.1
[M]+ 305.99329 138.7
[M]- 305.99439 138.7
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.