CID 13839091

Ethyl 2-acetyl-4,4,5,5,6,6,6-heptafluoro-3-oxohexanoate

Structural Information

Molecular Formula
C10H9F7O4
SMILES
CCOC(=O)C(C(=O)C)C(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H9F7O4/c1-3-21-7(20)5(4(2)18)6(19)8(11,12)9(13,14)10(15,16)17/h5H,3H2,1-2H3
InChIKey
MZZDFAKNMZPUCE-UHFFFAOYSA-N
Compound name
ethyl 2-acetyl-4,4,5,5,6,6,6-heptafluoro-3-oxohexanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

326.0389 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.04618 157.7
[M+Na]+ 349.02812 165.0
[M-H]- 325.03162 149.3
[M+NH4]+ 344.07272 163.6
[M+K]+ 365.00206 164.3
[M+H-H2O]+ 309.03616 148.2
[M+HCOO]- 371.03710 166.3
[M+CH3COO]- 385.05275 207.2
[M+Na-2H]- 347.01357 157.4
[M]+ 326.03835 150.6
[M]- 326.03945 150.6
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.