CID 544635

2,2,3,3,4,4,4-heptafluoro-1-(morpholin-4-yl)butan-1-one

Structural Information

Molecular Formula
C8H8F7NO2
SMILES
C1COCCN1C(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H8F7NO2/c9-6(10,7(11,12)8(13,14)15)5(17)16-1-3-18-4-2-16/h1-4H2
InChIKey
MKGSIZTXMDXSMT-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-1-morpholin-4-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

283.0443 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.05158 153.0
[M+Na]+ 306.03352 159.6
[M-H]- 282.03702 146.4
[M+NH4]+ 301.07812 165.5
[M+K]+ 322.00746 158.7
[M+H-H2O]+ 266.04156 141.7
[M+HCOO]- 328.04250 158.8
[M+CH3COO]- 342.05815 196.0
[M+Na-2H]- 304.01897 157.0
[M]+ 283.04375 140.2
[M]- 283.04485 140.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.