CID 102442704

Dtxsid60896047

Structural Information

Molecular Formula
C8H5F7N2O3
SMILES
CCOC(=O)C(=[N+]=[N-])C(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H5F7N2O3/c1-2-20-5(19)3(17-16)4(18)6(9,10)7(11,12)8(13,14)15/h2H2,1H3
InChIKey
PJAXFZHTZFOPJE-UHFFFAOYSA-N
Compound name
ethyl 2-diazo-4,4,5,5,6,6,6-heptafluoro-3-oxohexanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

310.01883 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.02611 150.7
[M+Na]+ 333.00805 175.3
[M-H]- 309.01155 170.4
[M+NH4]+ 328.05265 173.3
[M+K]+ 348.98199 152.5
[M+H-H2O]+ 293.01609 145.4
[M+HCOO]- 355.01703 180.8
[M+CH3COO]- 369.03268 200.7
[M+Na-2H]- 330.99350 156.3
[M]+ 310.01828 158.2
[M]- 310.01938 158.2
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

patents stripe